USER MOD reduce.3.24.130724 H: found=0, std=0, add=849, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 848 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 63 GLN : amide:sc= -0.676 K(o=-0.68,f=-2.8!) USER MOD Set 1.2: A 96 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 56 SER OG : rot 180:sc= 0.351 USER MOD Set 2.2: A 100 TYR OH : rot 156:sc= -3.07! USER MOD Set 3.1: A 40 TYR OH : rot 119:sc= -6.41! USER MOD Set 3.2: A 84 HIS : no HD1:sc= -6.02! C(o=-12!,f=-15!) USER MOD Set 4.1: A 33 ASN : amide:sc= -1.08 K(o=-1.7,f=1.6) USER MOD Set 4.2: A 36 SER OG : rot 158:sc= 0.465 USER MOD Set 4.3: A 41 SER OG : rot 127:sc= -1.06 USER MOD Single : A 17 ASN : amide:sc= -3.32! C(o=-3.3!,f=-9.4!) USER MOD Single : A 22 GLN : amide:sc= -0.0154 X(o=-0.015,f=0) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 TYR OH : rot 64:sc= -1.76! USER MOD Single : A 37 ASN : amide:sc= -1.75! C(o=-1.7!,f=-2.3!) USER MOD Single : A 39 LYS NZ :NH3+ 148:sc= -0.148 (180deg=-1.06) USER MOD Single : A 42 SER OG : rot 133:sc= 0.536 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.628 K(o=-0.63,f=-2.9!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc=-0.00537 (180deg=-0.00537) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot -28:sc= -1.23! USER MOD Single : A 70 THR OG1 : rot 79:sc= -4.08! USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 SER OG : rot 85:sc= 1.08 USER MOD Single : A 75 SER OG : rot 92:sc= 0.0248 USER MOD Single : A 79 GLN : amide:sc= -0.113 K(o=-0.11,f=-0.83) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc=-0.00949 USER MOD Single : A 93 THR OG1 : rot 180:sc= -0.0204 USER MOD Single : A 94 THR OG1 : rot -64:sc= 0.326 USER MOD Single : A 101 SER OG : rot -137:sc= -1.1! USER MOD Single : A 106 ASN : amide:sc= -0.0902 K(o=-0.09,f=-2.4!) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 113 SER OG : rot 140:sc= -0.485 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 GLN : amide:sc= -2.81! C(o=-2.8!,f=-4.1!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 9 -14.866 12.397 18.473 1.00 0.00 N ATOM 2 CA GLY A 9 -13.942 11.228 18.521 1.00 0.00 C ATOM 3 C GLY A 9 -12.586 11.626 17.934 1.00 0.00 C ATOM 4 O GLY A 9 -12.230 12.787 17.899 1.00 0.00 O ATOM 0 HA2 GLY A 9 -13.820 10.889 19.550 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -14.363 10.394 17.959 1.00 0.00 H new ATOM 7 N ALA A 10 -11.827 10.670 17.472 1.00 0.00 N ATOM 8 CA ALA A 10 -10.495 10.993 16.887 1.00 0.00 C ATOM 9 C ALA A 10 -9.915 9.744 16.218 1.00 0.00 C ATOM 10 O ALA A 10 -10.335 8.638 16.498 1.00 0.00 O ATOM 11 CB ALA A 10 -9.551 11.463 17.996 1.00 0.00 C ATOM 0 H ALA A 10 -12.072 9.680 17.474 1.00 0.00 H new ATOM 0 HA ALA A 10 -10.606 11.784 16.145 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -8.577 11.699 17.568 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -9.964 12.352 18.472 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -9.439 10.673 18.738 1.00 0.00 H new ATOM 17 N PRO A 11 -8.963 9.964 15.350 1.00 0.00 N ATOM 18 CA PRO A 11 -8.272 8.878 14.594 1.00 0.00 C ATOM 19 C PRO A 11 -7.168 8.247 15.449 1.00 0.00 C ATOM 20 O PRO A 11 -6.599 8.884 16.312 1.00 0.00 O ATOM 21 CB PRO A 11 -7.683 9.616 13.399 1.00 0.00 C ATOM 22 CG PRO A 11 -7.529 11.080 13.807 1.00 0.00 C ATOM 23 CD PRO A 11 -8.448 11.328 15.008 1.00 0.00 C ATOM 0 HA PRO A 11 -8.932 8.059 14.308 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -6.719 9.190 13.120 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -8.335 9.525 12.530 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.493 11.298 14.067 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.795 11.738 12.980 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.905 11.772 15.843 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -9.260 12.011 14.757 1.00 0.00 H new ATOM 31 N VAL A 12 -6.863 7.000 15.214 1.00 0.00 N ATOM 32 CA VAL A 12 -5.807 6.326 16.001 1.00 0.00 C ATOM 33 C VAL A 12 -4.577 6.142 15.113 1.00 0.00 C ATOM 34 O VAL A 12 -4.460 5.146 14.431 1.00 0.00 O ATOM 35 CB VAL A 12 -6.332 4.948 16.416 1.00 0.00 C ATOM 36 CG1 VAL A 12 -5.178 4.126 16.976 1.00 0.00 C ATOM 37 CG2 VAL A 12 -7.443 5.071 17.471 1.00 0.00 C ATOM 0 H VAL A 12 -7.308 6.419 14.503 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.544 6.915 16.880 1.00 0.00 H new ATOM 0 HB VAL A 12 -6.754 4.456 15.540 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -5.543 3.143 17.274 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -4.409 4.011 16.212 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -4.756 4.635 17.843 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -7.796 4.077 17.746 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -7.051 5.574 18.355 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -8.271 5.649 17.061 1.00 0.00 H new ATOM 47 N PRO A 13 -3.692 7.102 15.140 1.00 0.00 N ATOM 48 CA PRO A 13 -2.445 7.068 14.321 1.00 0.00 C ATOM 49 C PRO A 13 -1.495 5.993 14.841 1.00 0.00 C ATOM 50 O PRO A 13 -1.490 5.660 16.010 1.00 0.00 O ATOM 51 CB PRO A 13 -1.871 8.469 14.491 1.00 0.00 C ATOM 52 CG PRO A 13 -2.451 9.021 15.784 1.00 0.00 C ATOM 53 CD PRO A 13 -3.800 8.331 15.993 1.00 0.00 C ATOM 0 HA PRO A 13 -2.616 6.819 13.274 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -0.782 8.439 14.536 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -2.138 9.102 13.645 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -1.782 8.825 16.622 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -2.575 10.102 15.721 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -3.966 8.081 17.041 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -4.630 8.966 15.682 1.00 0.00 H new ATOM 61 N VAL A 14 -0.710 5.429 13.970 1.00 0.00 N ATOM 62 CA VAL A 14 0.222 4.351 14.392 1.00 0.00 C ATOM 63 C VAL A 14 1.673 4.803 14.211 1.00 0.00 C ATOM 64 O VAL A 14 1.964 5.750 13.506 1.00 0.00 O ATOM 65 CB VAL A 14 -0.043 3.116 13.532 1.00 0.00 C ATOM 66 CG1 VAL A 14 1.134 2.148 13.627 1.00 0.00 C ATOM 67 CG2 VAL A 14 -1.316 2.421 14.017 1.00 0.00 C ATOM 0 H VAL A 14 -0.674 5.669 12.979 1.00 0.00 H new ATOM 0 HA VAL A 14 0.061 4.119 15.445 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.166 3.425 12.494 1.00 0.00 H new ATOM 0 HG11 VAL A 14 0.935 1.271 13.010 1.00 0.00 H new ATOM 0 HG12 VAL A 14 2.040 2.641 13.275 1.00 0.00 H new ATOM 0 HG13 VAL A 14 1.269 1.839 14.664 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.506 1.540 13.404 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -1.192 2.120 15.057 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.159 3.108 13.936 1.00 0.00 H new ATOM 77 N ASP A 15 2.585 4.114 14.842 1.00 0.00 N ATOM 78 CA ASP A 15 4.030 4.470 14.717 1.00 0.00 C ATOM 79 C ASP A 15 4.873 3.398 15.409 1.00 0.00 C ATOM 80 O ASP A 15 4.372 2.605 16.178 1.00 0.00 O ATOM 81 CB ASP A 15 4.325 5.829 15.373 1.00 0.00 C ATOM 82 CG ASP A 15 3.057 6.421 15.996 1.00 0.00 C ATOM 83 OD1 ASP A 15 2.521 5.804 16.902 1.00 0.00 O ATOM 84 OD2 ASP A 15 2.643 7.482 15.556 1.00 0.00 O ATOM 0 H ASP A 15 2.391 3.314 15.444 1.00 0.00 H new ATOM 0 HA ASP A 15 4.277 4.531 13.657 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.090 5.709 16.140 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.725 6.518 14.629 1.00 0.00 H new ATOM 89 N GLU A 16 6.153 3.384 15.136 1.00 0.00 N ATOM 90 CA GLU A 16 7.066 2.381 15.766 1.00 0.00 C ATOM 91 C GLU A 16 7.058 1.088 14.962 1.00 0.00 C ATOM 92 O GLU A 16 8.084 0.578 14.558 1.00 0.00 O ATOM 93 CB GLU A 16 6.626 2.093 17.205 1.00 0.00 C ATOM 94 CG GLU A 16 6.236 3.404 17.893 1.00 0.00 C ATOM 95 CD GLU A 16 7.256 3.728 18.987 1.00 0.00 C ATOM 96 OE1 GLU A 16 8.431 3.812 18.669 1.00 0.00 O ATOM 97 OE2 GLU A 16 6.843 3.887 20.124 1.00 0.00 O ATOM 0 H GLU A 16 6.610 4.033 14.495 1.00 0.00 H new ATOM 0 HA GLU A 16 8.076 2.791 15.777 1.00 0.00 H new ATOM 0 HB2 GLU A 16 5.782 1.404 17.207 1.00 0.00 H new ATOM 0 HB3 GLU A 16 7.434 1.609 17.753 1.00 0.00 H new ATOM 0 HG2 GLU A 16 6.199 4.213 17.164 1.00 0.00 H new ATOM 0 HG3 GLU A 16 5.239 3.318 18.324 1.00 0.00 H new ATOM 104 N ASN A 17 5.905 0.564 14.734 1.00 0.00 N ATOM 105 CA ASN A 17 5.788 -0.702 13.957 1.00 0.00 C ATOM 106 C ASN A 17 4.314 -1.023 13.732 1.00 0.00 C ATOM 107 O ASN A 17 3.759 -0.752 12.685 1.00 0.00 O ATOM 108 CB ASN A 17 6.460 -1.848 14.723 1.00 0.00 C ATOM 109 CG ASN A 17 6.385 -1.588 16.231 1.00 0.00 C ATOM 110 OD1 ASN A 17 5.572 -0.810 16.690 1.00 0.00 O ATOM 111 ND2 ASN A 17 7.205 -2.216 17.029 1.00 0.00 N ATOM 0 H ASN A 17 5.019 0.956 15.053 1.00 0.00 H new ATOM 0 HA ASN A 17 6.284 -0.583 12.994 1.00 0.00 H new ATOM 0 HB2 ASN A 17 5.970 -2.792 14.484 1.00 0.00 H new ATOM 0 HB3 ASN A 17 7.501 -1.942 14.413 1.00 0.00 H new ATOM 0 HD21 ASN A 17 7.162 -2.053 18.035 1.00 0.00 H new ATOM 0 HD22 ASN A 17 7.888 -2.870 16.647 1.00 0.00 H new ATOM 118 N ASP A 18 3.675 -1.595 14.707 1.00 0.00 N ATOM 119 CA ASP A 18 2.233 -1.934 14.560 1.00 0.00 C ATOM 120 C ASP A 18 2.076 -3.064 13.547 1.00 0.00 C ATOM 121 O ASP A 18 2.011 -2.838 12.358 1.00 0.00 O ATOM 122 CB ASP A 18 1.476 -0.706 14.067 1.00 0.00 C ATOM 123 CG ASP A 18 0.421 -0.307 15.102 1.00 0.00 C ATOM 124 OD1 ASP A 18 0.805 0.031 16.210 1.00 0.00 O ATOM 125 OD2 ASP A 18 -0.753 -0.348 14.769 1.00 0.00 O ATOM 0 H ASP A 18 4.089 -1.845 15.605 1.00 0.00 H new ATOM 0 HA ASP A 18 1.833 -2.251 15.523 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.169 0.119 13.901 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.000 -0.919 13.110 1.00 0.00 H new ATOM 130 N GLU A 19 2.015 -4.280 14.008 1.00 0.00 N ATOM 131 CA GLU A 19 1.858 -5.425 13.069 1.00 0.00 C ATOM 132 C GLU A 19 0.532 -5.292 12.317 1.00 0.00 C ATOM 133 O GLU A 19 0.389 -5.759 11.204 1.00 0.00 O ATOM 134 CB GLU A 19 1.871 -6.736 13.856 1.00 0.00 C ATOM 135 CG GLU A 19 1.032 -6.575 15.126 1.00 0.00 C ATOM 136 CD GLU A 19 1.930 -6.738 16.354 1.00 0.00 C ATOM 137 OE1 GLU A 19 2.867 -7.515 16.279 1.00 0.00 O ATOM 138 OE2 GLU A 19 1.664 -6.083 17.348 1.00 0.00 O ATOM 0 H GLU A 19 2.067 -4.532 14.995 1.00 0.00 H new ATOM 0 HA GLU A 19 2.681 -5.423 12.354 1.00 0.00 H new ATOM 0 HB2 GLU A 19 1.472 -7.545 13.243 1.00 0.00 H new ATOM 0 HB3 GLU A 19 2.894 -7.007 14.115 1.00 0.00 H new ATOM 0 HG2 GLU A 19 0.555 -5.595 15.138 1.00 0.00 H new ATOM 0 HG3 GLU A 19 0.234 -7.318 15.144 1.00 0.00 H new ATOM 145 N GLY A 20 -0.439 -4.654 12.912 1.00 0.00 N ATOM 146 CA GLY A 20 -1.752 -4.491 12.226 1.00 0.00 C ATOM 147 C GLY A 20 -1.584 -3.553 11.029 1.00 0.00 C ATOM 148 O GLY A 20 -1.912 -3.893 9.909 1.00 0.00 O ATOM 0 H GLY A 20 -0.380 -4.239 13.842 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -2.125 -5.460 11.894 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -2.490 -4.086 12.919 1.00 0.00 H new ATOM 152 N LEU A 21 -1.070 -2.376 11.256 1.00 0.00 N ATOM 153 CA LEU A 21 -0.874 -1.417 10.134 1.00 0.00 C ATOM 154 C LEU A 21 0.104 -2.018 9.123 1.00 0.00 C ATOM 155 O LEU A 21 0.026 -1.752 7.940 1.00 0.00 O ATOM 156 CB LEU A 21 -0.319 -0.102 10.687 1.00 0.00 C ATOM 157 CG LEU A 21 -0.168 0.925 9.557 1.00 0.00 C ATOM 158 CD1 LEU A 21 1.058 0.581 8.710 1.00 0.00 C ATOM 159 CD2 LEU A 21 -1.421 0.908 8.675 1.00 0.00 C ATOM 0 H LEU A 21 -0.777 -2.037 12.172 1.00 0.00 H new ATOM 0 HA LEU A 21 -1.825 -1.223 9.638 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -0.986 0.288 11.456 1.00 0.00 H new ATOM 0 HB3 LEU A 21 0.647 -0.277 11.161 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.042 1.918 9.988 1.00 0.00 H new ATOM 0 HD11 LEU A 21 1.163 1.312 7.908 1.00 0.00 H new ATOM 0 HD12 LEU A 21 1.950 0.599 9.337 1.00 0.00 H new ATOM 0 HD13 LEU A 21 0.936 -0.414 8.281 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.311 1.638 7.873 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -1.550 -0.086 8.246 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -2.294 1.159 9.278 1.00 0.00 H new ATOM 171 N GLN A 22 1.021 -2.834 9.571 1.00 0.00 N ATOM 172 CA GLN A 22 1.985 -3.450 8.620 1.00 0.00 C ATOM 173 C GLN A 22 1.228 -4.391 7.688 1.00 0.00 C ATOM 174 O GLN A 22 1.415 -4.373 6.490 1.00 0.00 O ATOM 175 CB GLN A 22 3.052 -4.227 9.388 1.00 0.00 C ATOM 176 CG GLN A 22 4.063 -3.244 9.986 1.00 0.00 C ATOM 177 CD GLN A 22 5.470 -3.830 9.879 1.00 0.00 C ATOM 178 OE1 GLN A 22 6.077 -4.168 10.876 1.00 0.00 O ATOM 179 NE2 GLN A 22 6.021 -3.967 8.703 1.00 0.00 N ATOM 0 H GLN A 22 1.142 -3.098 10.549 1.00 0.00 H new ATOM 0 HA GLN A 22 2.474 -2.669 8.037 1.00 0.00 H new ATOM 0 HB2 GLN A 22 2.589 -4.817 10.179 1.00 0.00 H new ATOM 0 HB3 GLN A 22 3.558 -4.927 8.723 1.00 0.00 H new ATOM 0 HG2 GLN A 22 4.014 -2.291 9.460 1.00 0.00 H new ATOM 0 HG3 GLN A 22 3.819 -3.045 11.030 1.00 0.00 H new ATOM 0 HE21 GLN A 22 5.512 -3.684 7.865 1.00 0.00 H new ATOM 0 HE22 GLN A 22 6.960 -4.357 8.622 1.00 0.00 H new ATOM 188 N ARG A 23 0.356 -5.192 8.226 1.00 0.00 N ATOM 189 CA ARG A 23 -0.433 -6.110 7.363 1.00 0.00 C ATOM 190 C ARG A 23 -1.324 -5.260 6.458 1.00 0.00 C ATOM 191 O ARG A 23 -1.808 -5.707 5.437 1.00 0.00 O ATOM 192 CB ARG A 23 -1.301 -7.019 8.235 1.00 0.00 C ATOM 193 CG ARG A 23 -2.023 -8.037 7.349 1.00 0.00 C ATOM 194 CD ARG A 23 -1.372 -9.410 7.513 1.00 0.00 C ATOM 195 NE ARG A 23 -2.428 -10.437 7.733 1.00 0.00 N ATOM 196 CZ ARG A 23 -2.925 -10.616 8.927 1.00 0.00 C ATOM 197 NH1 ARG A 23 -2.201 -11.176 9.856 1.00 0.00 N ATOM 198 NH2 ARG A 23 -4.145 -10.235 9.189 1.00 0.00 N ATOM 0 H ARG A 23 0.155 -5.251 9.224 1.00 0.00 H new ATOM 0 HA ARG A 23 0.232 -6.732 6.764 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -0.683 -7.534 8.970 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.027 -6.424 8.790 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -3.077 -8.088 7.621 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.978 -7.724 6.306 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.789 -9.656 6.625 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.680 -9.398 8.355 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.763 -11.000 6.951 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.248 -11.474 9.649 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.588 -11.316 10.789 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -4.710 -9.798 8.461 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.534 -10.375 10.122 1.00 0.00 H new ATOM 212 N ALA A 24 -1.532 -4.025 6.831 1.00 0.00 N ATOM 213 CA ALA A 24 -2.374 -3.117 6.006 1.00 0.00 C ATOM 214 C ALA A 24 -1.593 -2.713 4.763 1.00 0.00 C ATOM 215 O ALA A 24 -2.033 -2.899 3.640 1.00 0.00 O ATOM 216 CB ALA A 24 -2.718 -1.866 6.816 1.00 0.00 C ATOM 0 H ALA A 24 -1.151 -3.605 7.679 1.00 0.00 H new ATOM 0 HA ALA A 24 -3.294 -3.626 5.718 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.335 -1.200 6.213 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.265 -2.153 7.714 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -1.799 -1.352 7.100 1.00 0.00 H new ATOM 222 N LEU A 25 -0.426 -2.166 4.954 1.00 0.00 N ATOM 223 CA LEU A 25 0.396 -1.754 3.807 1.00 0.00 C ATOM 224 C LEU A 25 0.692 -2.966 2.931 1.00 0.00 C ATOM 225 O LEU A 25 0.741 -2.878 1.730 1.00 0.00 O ATOM 226 CB LEU A 25 1.689 -1.173 4.354 1.00 0.00 C ATOM 227 CG LEU A 25 2.660 -0.885 3.208 1.00 0.00 C ATOM 228 CD1 LEU A 25 3.176 0.550 3.324 1.00 0.00 C ATOM 229 CD2 LEU A 25 3.838 -1.858 3.281 1.00 0.00 C ATOM 0 H LEU A 25 -0.011 -1.989 5.869 1.00 0.00 H new ATOM 0 HA LEU A 25 -0.124 -1.012 3.201 1.00 0.00 H new ATOM 0 HB2 LEU A 25 1.481 -0.255 4.904 1.00 0.00 H new ATOM 0 HB3 LEU A 25 2.142 -1.871 5.058 1.00 0.00 H new ATOM 0 HG LEU A 25 2.144 -1.009 2.256 1.00 0.00 H new ATOM 0 HD11 LEU A 25 3.868 0.755 2.507 1.00 0.00 H new ATOM 0 HD12 LEU A 25 2.337 1.244 3.271 1.00 0.00 H new ATOM 0 HD13 LEU A 25 3.691 0.675 4.276 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.530 -1.653 2.464 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.354 -1.734 4.233 1.00 0.00 H new ATOM 0 HD23 LEU A 25 3.471 -2.881 3.197 1.00 0.00 H new ATOM 241 N GLN A 26 0.894 -4.097 3.527 1.00 0.00 N ATOM 242 CA GLN A 26 1.194 -5.316 2.722 1.00 0.00 C ATOM 243 C GLN A 26 -0.047 -5.764 1.941 1.00 0.00 C ATOM 244 O GLN A 26 0.055 -6.393 0.906 1.00 0.00 O ATOM 245 CB GLN A 26 1.648 -6.443 3.653 1.00 0.00 C ATOM 246 CG GLN A 26 3.162 -6.626 3.534 1.00 0.00 C ATOM 247 CD GLN A 26 3.747 -6.953 4.909 1.00 0.00 C ATOM 248 OE1 GLN A 26 3.584 -8.049 5.406 1.00 0.00 O ATOM 249 NE2 GLN A 26 4.425 -6.040 5.550 1.00 0.00 N ATOM 0 H GLN A 26 0.866 -4.238 4.537 1.00 0.00 H new ATOM 0 HA GLN A 26 1.987 -5.081 2.012 1.00 0.00 H new ATOM 0 HB2 GLN A 26 1.379 -6.208 4.683 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.138 -7.371 3.394 1.00 0.00 H new ATOM 0 HG2 GLN A 26 3.388 -7.428 2.831 1.00 0.00 H new ATOM 0 HG3 GLN A 26 3.619 -5.718 3.139 1.00 0.00 H new ATOM 0 HE21 GLN A 26 4.562 -5.119 5.133 1.00 0.00 H new ATOM 0 HE22 GLN A 26 4.818 -6.247 6.468 1.00 0.00 H new ATOM 258 N PHE A 27 -1.213 -5.447 2.422 1.00 0.00 N ATOM 259 CA PHE A 27 -2.458 -5.854 1.708 1.00 0.00 C ATOM 260 C PHE A 27 -2.618 -5.023 0.443 1.00 0.00 C ATOM 261 O PHE A 27 -2.748 -5.538 -0.654 1.00 0.00 O ATOM 262 CB PHE A 27 -3.641 -5.583 2.624 1.00 0.00 C ATOM 263 CG PHE A 27 -4.908 -6.242 2.117 1.00 0.00 C ATOM 264 CD1 PHE A 27 -5.382 -5.979 0.824 1.00 0.00 C ATOM 265 CD2 PHE A 27 -5.627 -7.094 2.963 1.00 0.00 C ATOM 266 CE1 PHE A 27 -6.569 -6.568 0.386 1.00 0.00 C ATOM 267 CE2 PHE A 27 -6.811 -7.686 2.519 1.00 0.00 C ATOM 268 CZ PHE A 27 -7.284 -7.420 1.229 1.00 0.00 C ATOM 0 H PHE A 27 -1.361 -4.921 3.283 1.00 0.00 H new ATOM 0 HA PHE A 27 -2.407 -6.910 1.443 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -3.416 -5.949 3.626 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -3.798 -4.508 2.706 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -4.830 -5.322 0.168 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -5.265 -7.294 3.961 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -6.936 -6.364 -0.609 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -7.361 -8.349 3.171 1.00 0.00 H new ATOM 0 HZ PHE A 27 -8.202 -7.874 0.886 1.00 0.00 H new ATOM 278 N ALA A 28 -2.636 -3.742 0.601 1.00 0.00 N ATOM 279 CA ALA A 28 -2.824 -2.846 -0.573 1.00 0.00 C ATOM 280 C ALA A 28 -1.593 -2.865 -1.471 1.00 0.00 C ATOM 281 O ALA A 28 -1.696 -3.010 -2.671 1.00 0.00 O ATOM 282 CB ALA A 28 -3.060 -1.429 -0.080 1.00 0.00 C ATOM 0 H ALA A 28 -2.528 -3.266 1.496 1.00 0.00 H new ATOM 0 HA ALA A 28 -3.680 -3.196 -1.149 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.199 -0.765 -0.933 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.951 -1.406 0.547 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -2.199 -1.098 0.501 1.00 0.00 H new ATOM 288 N ILE A 29 -0.436 -2.705 -0.909 1.00 0.00 N ATOM 289 CA ILE A 29 0.794 -2.709 -1.741 1.00 0.00 C ATOM 290 C ILE A 29 0.847 -4.017 -2.519 1.00 0.00 C ATOM 291 O ILE A 29 1.187 -4.059 -3.688 1.00 0.00 O ATOM 292 CB ILE A 29 2.013 -2.547 -0.826 1.00 0.00 C ATOM 293 CG1 ILE A 29 2.973 -1.561 -1.454 1.00 0.00 C ATOM 294 CG2 ILE A 29 2.718 -3.873 -0.603 1.00 0.00 C ATOM 295 CD1 ILE A 29 2.173 -0.333 -1.818 1.00 0.00 C ATOM 0 H ILE A 29 -0.286 -2.571 0.091 1.00 0.00 H new ATOM 0 HA ILE A 29 0.792 -1.883 -2.452 1.00 0.00 H new ATOM 0 HB ILE A 29 1.673 -2.181 0.143 1.00 0.00 H new ATOM 0 HG12 ILE A 29 3.774 -1.307 -0.759 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.443 -1.991 -2.339 1.00 0.00 H new ATOM 0 HG21 ILE A 29 3.578 -3.723 0.050 1.00 0.00 H new ATOM 0 HG22 ILE A 29 2.029 -4.578 -0.139 1.00 0.00 H new ATOM 0 HG23 ILE A 29 3.055 -4.272 -1.560 1.00 0.00 H new ATOM 0 HD11 ILE A 29 2.830 0.407 -2.276 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.387 -0.606 -2.523 1.00 0.00 H new ATOM 0 HD13 ILE A 29 1.723 0.088 -0.919 1.00 0.00 H new ATOM 307 N ALA A 30 0.482 -5.079 -1.876 1.00 0.00 N ATOM 308 CA ALA A 30 0.462 -6.387 -2.573 1.00 0.00 C ATOM 309 C ALA A 30 -0.452 -6.214 -3.778 1.00 0.00 C ATOM 310 O ALA A 30 -0.215 -6.733 -4.856 1.00 0.00 O ATOM 311 CB ALA A 30 -0.110 -7.460 -1.642 1.00 0.00 C ATOM 0 H ALA A 30 0.196 -5.101 -0.897 1.00 0.00 H new ATOM 0 HA ALA A 30 1.464 -6.695 -2.872 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -0.123 -8.420 -2.158 1.00 0.00 H new ATOM 0 HB2 ALA A 30 0.511 -7.536 -0.750 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -1.126 -7.189 -1.355 1.00 0.00 H new ATOM 317 N GLU A 31 -1.502 -5.461 -3.589 1.00 0.00 N ATOM 318 CA GLU A 31 -2.455 -5.213 -4.695 1.00 0.00 C ATOM 319 C GLU A 31 -1.860 -4.227 -5.699 1.00 0.00 C ATOM 320 O GLU A 31 -2.250 -4.216 -6.844 1.00 0.00 O ATOM 321 CB GLU A 31 -3.767 -4.654 -4.143 1.00 0.00 C ATOM 322 CG GLU A 31 -4.145 -5.405 -2.864 1.00 0.00 C ATOM 323 CD GLU A 31 -5.483 -6.118 -3.067 1.00 0.00 C ATOM 324 OE1 GLU A 31 -6.444 -5.446 -3.400 1.00 0.00 O ATOM 325 OE2 GLU A 31 -5.523 -7.324 -2.883 1.00 0.00 O ATOM 0 H GLU A 31 -1.737 -5.006 -2.707 1.00 0.00 H new ATOM 0 HA GLU A 31 -2.651 -6.159 -5.200 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -3.662 -3.589 -3.934 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.559 -4.757 -4.885 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -3.370 -6.129 -2.612 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.215 -4.709 -2.028 1.00 0.00 H new ATOM 332 N TYR A 32 -0.920 -3.402 -5.311 1.00 0.00 N ATOM 333 CA TYR A 32 -0.349 -2.470 -6.306 1.00 0.00 C ATOM 334 C TYR A 32 0.441 -3.288 -7.322 1.00 0.00 C ATOM 335 O TYR A 32 0.310 -3.115 -8.519 1.00 0.00 O ATOM 336 CB TYR A 32 0.573 -1.480 -5.611 1.00 0.00 C ATOM 337 CG TYR A 32 0.430 -0.124 -6.259 1.00 0.00 C ATOM 338 CD1 TYR A 32 0.840 0.086 -7.582 1.00 0.00 C ATOM 339 CD2 TYR A 32 -0.125 0.932 -5.527 1.00 0.00 C ATOM 340 CE1 TYR A 32 0.695 1.343 -8.163 1.00 0.00 C ATOM 341 CE2 TYR A 32 -0.270 2.184 -6.108 1.00 0.00 C ATOM 342 CZ TYR A 32 0.138 2.396 -7.429 1.00 0.00 C ATOM 343 OH TYR A 32 -0.002 3.642 -8.008 1.00 0.00 O ATOM 0 H TYR A 32 -0.536 -3.339 -4.368 1.00 0.00 H new ATOM 0 HA TYR A 32 -1.143 -1.915 -6.805 1.00 0.00 H new ATOM 0 HB2 TYR A 32 0.325 -1.417 -4.551 1.00 0.00 H new ATOM 0 HB3 TYR A 32 1.606 -1.820 -5.677 1.00 0.00 H new ATOM 0 HD1 TYR A 32 1.268 -0.726 -8.151 1.00 0.00 H new ATOM 0 HD2 TYR A 32 -0.441 0.772 -4.507 1.00 0.00 H new ATOM 0 HE1 TYR A 32 1.013 1.506 -9.182 1.00 0.00 H new ATOM 0 HE2 TYR A 32 -0.699 2.996 -5.539 1.00 0.00 H new ATOM 0 HH TYR A 32 -0.628 3.585 -8.760 1.00 0.00 H new ATOM 353 N ASN A 33 1.255 -4.194 -6.848 1.00 0.00 N ATOM 354 CA ASN A 33 2.047 -5.038 -7.779 1.00 0.00 C ATOM 355 C ASN A 33 1.101 -5.883 -8.637 1.00 0.00 C ATOM 356 O ASN A 33 1.198 -5.896 -9.848 1.00 0.00 O ATOM 357 CB ASN A 33 2.969 -5.957 -6.974 1.00 0.00 C ATOM 358 CG ASN A 33 3.587 -7.002 -7.905 1.00 0.00 C ATOM 359 OD1 ASN A 33 3.041 -8.073 -8.085 1.00 0.00 O ATOM 360 ND2 ASN A 33 4.713 -6.736 -8.509 1.00 0.00 N ATOM 0 H ASN A 33 1.403 -4.383 -5.857 1.00 0.00 H new ATOM 0 HA ASN A 33 2.647 -4.399 -8.427 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.754 -5.372 -6.494 1.00 0.00 H new ATOM 0 HB3 ASN A 33 2.407 -6.449 -6.180 1.00 0.00 H new ATOM 0 HD21 ASN A 33 5.134 -7.426 -9.131 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.172 -5.838 -8.359 1.00 0.00 H new ATOM 367 N ARG A 34 0.187 -6.594 -8.026 1.00 0.00 N ATOM 368 CA ARG A 34 -0.751 -7.435 -8.823 1.00 0.00 C ATOM 369 C ARG A 34 -1.729 -6.539 -9.590 1.00 0.00 C ATOM 370 O ARG A 34 -2.412 -6.983 -10.491 1.00 0.00 O ATOM 371 CB ARG A 34 -1.530 -8.368 -7.891 1.00 0.00 C ATOM 372 CG ARG A 34 -0.551 -9.110 -6.980 1.00 0.00 C ATOM 373 CD ARG A 34 -0.935 -10.591 -6.917 1.00 0.00 C ATOM 374 NE ARG A 34 -1.087 -11.004 -5.493 1.00 0.00 N ATOM 375 CZ ARG A 34 -0.053 -11.444 -4.828 1.00 0.00 C ATOM 376 NH1 ARG A 34 0.835 -10.604 -4.372 1.00 0.00 N ATOM 377 NH2 ARG A 34 0.093 -12.724 -4.619 1.00 0.00 N ATOM 0 H ARG A 34 0.052 -6.627 -7.016 1.00 0.00 H new ATOM 0 HA ARG A 34 -0.179 -8.032 -9.533 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.237 -7.794 -7.292 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -2.112 -9.081 -8.475 1.00 0.00 H new ATOM 0 HG2 ARG A 34 0.466 -9.003 -7.357 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -0.568 -8.676 -5.980 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -1.867 -10.760 -7.457 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -0.170 -11.197 -7.403 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.998 -10.943 -5.038 1.00 0.00 H new ATOM 0 HH11 ARG A 34 0.722 -9.604 -4.535 1.00 0.00 H new ATOM 0 HH12 ARG A 34 1.643 -10.948 -3.853 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.601 -13.381 -4.975 1.00 0.00 H new ATOM 0 HH22 ARG A 34 0.901 -13.067 -4.099 1.00 0.00 H new ATOM 391 N ALA A 35 -1.811 -5.286 -9.236 1.00 0.00 N ATOM 392 CA ALA A 35 -2.754 -4.372 -9.947 1.00 0.00 C ATOM 393 C ALA A 35 -2.097 -3.820 -11.214 1.00 0.00 C ATOM 394 O ALA A 35 -2.756 -3.266 -12.073 1.00 0.00 O ATOM 395 CB ALA A 35 -3.134 -3.212 -9.027 1.00 0.00 C ATOM 0 H ALA A 35 -1.268 -4.855 -8.488 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.648 -4.931 -10.222 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.822 -2.546 -9.547 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.615 -3.602 -8.130 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.236 -2.660 -8.747 1.00 0.00 H new ATOM 401 N SER A 36 -0.808 -3.958 -11.337 1.00 0.00 N ATOM 402 CA SER A 36 -0.113 -3.436 -12.545 1.00 0.00 C ATOM 403 C SER A 36 -0.310 -4.400 -13.717 1.00 0.00 C ATOM 404 O SER A 36 -0.544 -3.990 -14.837 1.00 0.00 O ATOM 405 CB SER A 36 1.378 -3.306 -12.245 1.00 0.00 C ATOM 406 OG SER A 36 2.021 -4.541 -12.525 1.00 0.00 O ATOM 0 H SER A 36 -0.204 -4.411 -10.651 1.00 0.00 H new ATOM 0 HA SER A 36 -0.527 -2.463 -12.808 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.814 -2.510 -12.849 1.00 0.00 H new ATOM 0 HB3 SER A 36 1.528 -3.033 -11.201 1.00 0.00 H new ATOM 0 HG SER A 36 2.977 -4.386 -12.673 1.00 0.00 H new ATOM 412 N ASN A 37 -0.207 -5.677 -13.471 1.00 0.00 N ATOM 413 CA ASN A 37 -0.377 -6.666 -14.574 1.00 0.00 C ATOM 414 C ASN A 37 0.895 -6.700 -15.423 1.00 0.00 C ATOM 415 O ASN A 37 1.988 -6.522 -14.925 1.00 0.00 O ATOM 416 CB ASN A 37 -1.566 -6.262 -15.449 1.00 0.00 C ATOM 417 CG ASN A 37 -2.697 -5.737 -14.561 1.00 0.00 C ATOM 418 OD1 ASN A 37 -2.936 -6.257 -13.490 1.00 0.00 O ATOM 419 ND2 ASN A 37 -3.408 -4.721 -14.967 1.00 0.00 N ATOM 0 H ASN A 37 -0.012 -6.079 -12.554 1.00 0.00 H new ATOM 0 HA ASN A 37 -0.561 -7.654 -14.152 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.263 -5.495 -16.162 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -1.912 -7.118 -16.029 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -4.165 -4.363 -14.385 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -3.207 -4.285 -15.867 1.00 0.00 H new ATOM 426 N ASP A 38 0.764 -6.940 -16.702 1.00 0.00 N ATOM 427 CA ASP A 38 1.950 -6.999 -17.585 1.00 0.00 C ATOM 428 C ASP A 38 2.380 -5.584 -17.999 1.00 0.00 C ATOM 429 O ASP A 38 2.709 -5.340 -19.142 1.00 0.00 O ATOM 430 CB ASP A 38 1.541 -7.785 -18.816 1.00 0.00 C ATOM 431 CG ASP A 38 2.727 -7.911 -19.774 1.00 0.00 C ATOM 432 OD1 ASP A 38 3.819 -7.530 -19.386 1.00 0.00 O ATOM 433 OD2 ASP A 38 2.524 -8.385 -20.879 1.00 0.00 O ATOM 0 H ASP A 38 -0.128 -7.098 -17.171 1.00 0.00 H new ATOM 0 HA ASP A 38 2.789 -7.469 -17.071 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.191 -8.775 -18.525 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.710 -7.287 -19.316 1.00 0.00 H new ATOM 438 N LYS A 39 2.377 -4.648 -17.085 1.00 0.00 N ATOM 439 CA LYS A 39 2.782 -3.259 -17.441 1.00 0.00 C ATOM 440 C LYS A 39 4.039 -2.867 -16.677 1.00 0.00 C ATOM 441 O LYS A 39 5.059 -2.613 -17.270 1.00 0.00 O ATOM 442 CB LYS A 39 1.650 -2.291 -17.094 1.00 0.00 C ATOM 443 CG LYS A 39 0.414 -2.630 -17.932 1.00 0.00 C ATOM 444 CD LYS A 39 -0.837 -2.541 -17.057 1.00 0.00 C ATOM 445 CE LYS A 39 -1.909 -1.723 -17.779 1.00 0.00 C ATOM 446 NZ LYS A 39 -2.094 -2.253 -19.159 1.00 0.00 N ATOM 0 H LYS A 39 2.112 -4.787 -16.110 1.00 0.00 H new ATOM 0 HA LYS A 39 2.988 -3.213 -18.510 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.412 -2.358 -16.032 1.00 0.00 H new ATOM 0 HB3 LYS A 39 1.963 -1.265 -17.286 1.00 0.00 H new ATOM 0 HG2 LYS A 39 0.332 -1.941 -18.773 1.00 0.00 H new ATOM 0 HG3 LYS A 39 0.508 -3.633 -18.349 1.00 0.00 H new ATOM 0 HD2 LYS A 39 -1.213 -3.541 -16.839 1.00 0.00 H new ATOM 0 HD3 LYS A 39 -0.593 -2.077 -16.101 1.00 0.00 H new ATOM 0 HE2 LYS A 39 -2.850 -1.772 -17.230 1.00 0.00 H new ATOM 0 HE3 LYS A 39 -1.616 -0.674 -17.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -3.084 -2.125 -19.450 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 -1.472 -1.739 -19.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 -1.856 -3.265 -19.177 1.00 0.00 H new ATOM 460 N TYR A 40 3.970 -2.797 -15.376 1.00 0.00 N ATOM 461 CA TYR A 40 5.164 -2.396 -14.585 1.00 0.00 C ATOM 462 C TYR A 40 4.904 -2.649 -13.114 1.00 0.00 C ATOM 463 O TYR A 40 3.873 -3.164 -12.746 1.00 0.00 O ATOM 464 CB TYR A 40 5.396 -0.906 -14.774 1.00 0.00 C ATOM 465 CG TYR A 40 6.512 -0.627 -15.747 1.00 0.00 C ATOM 466 CD1 TYR A 40 7.173 -1.666 -16.414 1.00 0.00 C ATOM 467 CD2 TYR A 40 6.882 0.696 -15.981 1.00 0.00 C ATOM 468 CE1 TYR A 40 8.194 -1.382 -17.309 1.00 0.00 C ATOM 469 CE2 TYR A 40 7.908 0.982 -16.876 1.00 0.00 C ATOM 470 CZ TYR A 40 8.570 -0.056 -17.543 1.00 0.00 C ATOM 471 OH TYR A 40 9.586 0.226 -18.430 1.00 0.00 O ATOM 0 H TYR A 40 3.135 -3.001 -14.827 1.00 0.00 H new ATOM 0 HA TYR A 40 6.030 -2.969 -14.917 1.00 0.00 H new ATOM 0 HB2 TYR A 40 4.478 -0.439 -15.131 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.632 -0.451 -13.812 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.887 -2.691 -16.231 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.373 1.498 -15.468 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.699 -2.185 -17.825 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.195 2.007 -17.057 1.00 0.00 H new ATOM 0 HH TYR A 40 9.239 0.781 -19.159 1.00 0.00 H new ATOM 481 N SER A 41 5.810 -2.273 -12.247 1.00 0.00 N ATOM 482 CA SER A 41 5.515 -2.505 -10.810 1.00 0.00 C ATOM 483 C SER A 41 6.077 -1.358 -9.982 1.00 0.00 C ATOM 484 O SER A 41 7.168 -0.856 -10.223 1.00 0.00 O ATOM 485 CB SER A 41 6.084 -3.849 -10.337 1.00 0.00 C ATOM 486 OG SER A 41 5.016 -4.768 -10.159 1.00 0.00 O ATOM 0 H SER A 41 6.705 -1.833 -12.463 1.00 0.00 H new ATOM 0 HA SER A 41 4.434 -2.544 -10.677 1.00 0.00 H new ATOM 0 HB2 SER A 41 6.794 -4.235 -11.068 1.00 0.00 H new ATOM 0 HB3 SER A 41 6.628 -3.719 -9.402 1.00 0.00 H new ATOM 0 HG SER A 41 5.202 -5.588 -10.663 1.00 0.00 H new ATOM 492 N SER A 42 5.321 -0.932 -9.013 1.00 0.00 N ATOM 493 CA SER A 42 5.771 0.184 -8.160 1.00 0.00 C ATOM 494 C SER A 42 5.987 -0.331 -6.729 1.00 0.00 C ATOM 495 O SER A 42 5.052 -0.703 -6.054 1.00 0.00 O ATOM 496 CB SER A 42 4.694 1.272 -8.146 1.00 0.00 C ATOM 497 OG SER A 42 3.846 1.112 -9.275 1.00 0.00 O ATOM 0 H SER A 42 4.405 -1.315 -8.778 1.00 0.00 H new ATOM 0 HA SER A 42 6.703 0.593 -8.549 1.00 0.00 H new ATOM 0 HB2 SER A 42 4.110 1.210 -7.227 1.00 0.00 H new ATOM 0 HB3 SER A 42 5.158 2.258 -8.163 1.00 0.00 H new ATOM 0 HG SER A 42 2.910 1.172 -8.992 1.00 0.00 H new ATOM 503 N ARG A 43 7.203 -0.346 -6.255 1.00 0.00 N ATOM 504 CA ARG A 43 7.451 -0.811 -4.861 1.00 0.00 C ATOM 505 C ARG A 43 7.095 0.331 -3.923 1.00 0.00 C ATOM 506 O ARG A 43 6.033 0.911 -4.014 1.00 0.00 O ATOM 507 CB ARG A 43 8.929 -1.193 -4.716 1.00 0.00 C ATOM 508 CG ARG A 43 9.295 -2.237 -5.773 1.00 0.00 C ATOM 509 CD ARG A 43 10.271 -3.251 -5.173 1.00 0.00 C ATOM 510 NE ARG A 43 9.645 -3.906 -3.990 1.00 0.00 N ATOM 511 CZ ARG A 43 10.380 -4.245 -2.966 1.00 0.00 C ATOM 512 NH1 ARG A 43 10.902 -3.323 -2.203 1.00 0.00 N ATOM 513 NH2 ARG A 43 10.595 -5.506 -2.706 1.00 0.00 N ATOM 0 H ARG A 43 8.034 -0.057 -6.772 1.00 0.00 H new ATOM 0 HA ARG A 43 6.846 -1.685 -4.621 1.00 0.00 H new ATOM 0 HB2 ARG A 43 9.556 -0.309 -4.831 1.00 0.00 H new ATOM 0 HB3 ARG A 43 9.116 -1.590 -3.718 1.00 0.00 H new ATOM 0 HG2 ARG A 43 8.397 -2.745 -6.124 1.00 0.00 H new ATOM 0 HG3 ARG A 43 9.745 -1.751 -6.639 1.00 0.00 H new ATOM 0 HD2 ARG A 43 10.537 -4.001 -5.918 1.00 0.00 H new ATOM 0 HD3 ARG A 43 11.195 -2.752 -4.879 1.00 0.00 H new ATOM 0 HE ARG A 43 8.642 -4.090 -3.980 1.00 0.00 H new ATOM 0 HH11 ARG A 43 10.735 -2.338 -2.407 1.00 0.00 H new ATOM 0 HH12 ARG A 43 11.476 -3.588 -1.403 1.00 0.00 H new ATOM 0 HH21 ARG A 43 10.189 -6.226 -3.303 1.00 0.00 H new ATOM 0 HH22 ARG A 43 11.169 -5.771 -1.906 1.00 0.00 H new ATOM 527 N VAL A 44 7.962 0.659 -3.034 1.00 0.00 N ATOM 528 CA VAL A 44 7.693 1.782 -2.101 1.00 0.00 C ATOM 529 C VAL A 44 8.628 2.947 -2.462 1.00 0.00 C ATOM 530 O VAL A 44 9.601 2.774 -3.169 1.00 0.00 O ATOM 531 CB VAL A 44 7.933 1.295 -0.675 1.00 0.00 C ATOM 532 CG1 VAL A 44 8.569 2.391 0.191 1.00 0.00 C ATOM 533 CG2 VAL A 44 6.598 0.874 -0.055 1.00 0.00 C ATOM 0 H VAL A 44 8.862 0.196 -2.904 1.00 0.00 H new ATOM 0 HA VAL A 44 6.662 2.128 -2.179 1.00 0.00 H new ATOM 0 HB VAL A 44 8.619 0.449 -0.714 1.00 0.00 H new ATOM 0 HG11 VAL A 44 8.727 2.011 1.201 1.00 0.00 H new ATOM 0 HG12 VAL A 44 9.526 2.685 -0.240 1.00 0.00 H new ATOM 0 HG13 VAL A 44 7.907 3.256 0.228 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.764 0.525 0.964 1.00 0.00 H new ATOM 0 HG22 VAL A 44 5.919 1.726 -0.041 1.00 0.00 H new ATOM 0 HG23 VAL A 44 6.159 0.070 -0.647 1.00 0.00 H new ATOM 543 N VAL A 45 8.358 4.124 -1.967 1.00 0.00 N ATOM 544 CA VAL A 45 9.243 5.282 -2.260 1.00 0.00 C ATOM 545 C VAL A 45 9.306 6.126 -0.993 1.00 0.00 C ATOM 546 O VAL A 45 10.338 6.286 -0.373 1.00 0.00 O ATOM 547 CB VAL A 45 8.696 6.165 -3.402 1.00 0.00 C ATOM 548 CG1 VAL A 45 9.757 6.361 -4.448 1.00 0.00 C ATOM 549 CG2 VAL A 45 7.544 5.550 -4.149 1.00 0.00 C ATOM 0 H VAL A 45 7.558 4.332 -1.369 1.00 0.00 H new ATOM 0 HA VAL A 45 10.219 4.909 -2.570 1.00 0.00 H new ATOM 0 HB VAL A 45 8.377 7.085 -2.912 1.00 0.00 H new ATOM 0 HG11 VAL A 45 9.365 6.985 -5.251 1.00 0.00 H new ATOM 0 HG12 VAL A 45 10.624 6.848 -4.000 1.00 0.00 H new ATOM 0 HG13 VAL A 45 10.053 5.393 -4.852 1.00 0.00 H new ATOM 0 HG21 VAL A 45 7.216 6.230 -4.935 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.861 4.607 -4.594 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.720 5.367 -3.460 1.00 0.00 H new ATOM 559 N ARG A 46 8.180 6.654 -0.613 1.00 0.00 N ATOM 560 CA ARG A 46 8.101 7.490 0.618 1.00 0.00 C ATOM 561 C ARG A 46 6.644 7.556 1.110 1.00 0.00 C ATOM 562 O ARG A 46 5.885 8.415 0.708 1.00 0.00 O ATOM 563 CB ARG A 46 8.595 8.904 0.307 1.00 0.00 C ATOM 564 CG ARG A 46 9.890 9.175 1.075 1.00 0.00 C ATOM 565 CD ARG A 46 9.975 10.661 1.428 1.00 0.00 C ATOM 566 NE ARG A 46 9.788 11.474 0.193 1.00 0.00 N ATOM 567 CZ ARG A 46 10.822 11.998 -0.405 1.00 0.00 C ATOM 568 NH1 ARG A 46 11.940 11.328 -0.483 1.00 0.00 N ATOM 569 NH2 ARG A 46 10.739 13.191 -0.929 1.00 0.00 N ATOM 0 H ARG A 46 7.296 6.541 -1.109 1.00 0.00 H new ATOM 0 HA ARG A 46 8.725 7.046 1.394 1.00 0.00 H new ATOM 0 HB2 ARG A 46 8.766 9.013 -0.764 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.836 9.635 0.585 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.919 8.573 1.983 1.00 0.00 H new ATOM 0 HG3 ARG A 46 10.750 8.884 0.472 1.00 0.00 H new ATOM 0 HD2 ARG A 46 9.212 10.916 2.163 1.00 0.00 H new ATOM 0 HD3 ARG A 46 10.941 10.884 1.881 1.00 0.00 H new ATOM 0 HE ARG A 46 8.852 11.621 -0.184 1.00 0.00 H new ATOM 0 HH11 ARG A 46 12.005 10.395 -0.076 1.00 0.00 H new ATOM 0 HH12 ARG A 46 12.749 11.738 -0.951 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.865 13.714 -0.871 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.548 13.600 -1.396 1.00 0.00 H new ATOM 583 N VAL A 47 6.251 6.659 1.982 1.00 0.00 N ATOM 584 CA VAL A 47 4.853 6.674 2.505 1.00 0.00 C ATOM 585 C VAL A 47 4.567 8.040 3.129 1.00 0.00 C ATOM 586 O VAL A 47 5.470 8.779 3.464 1.00 0.00 O ATOM 587 CB VAL A 47 4.709 5.561 3.534 1.00 0.00 C ATOM 588 CG1 VAL A 47 3.642 5.918 4.570 1.00 0.00 C ATOM 589 CG2 VAL A 47 4.311 4.264 2.825 1.00 0.00 C ATOM 0 H VAL A 47 6.842 5.916 2.354 1.00 0.00 H new ATOM 0 HA VAL A 47 4.136 6.507 1.701 1.00 0.00 H new ATOM 0 HB VAL A 47 5.663 5.431 4.044 1.00 0.00 H new ATOM 0 HG11 VAL A 47 3.555 5.110 5.296 1.00 0.00 H new ATOM 0 HG12 VAL A 47 3.926 6.837 5.083 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.684 6.062 4.071 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.207 3.465 3.559 1.00 0.00 H new ATOM 0 HG22 VAL A 47 3.362 4.408 2.309 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.080 3.994 2.101 1.00 0.00 H new ATOM 599 N ILE A 48 3.317 8.392 3.276 1.00 0.00 N ATOM 600 CA ILE A 48 2.997 9.707 3.857 1.00 0.00 C ATOM 601 C ILE A 48 2.134 9.514 5.101 1.00 0.00 C ATOM 602 O ILE A 48 1.951 10.434 5.876 1.00 0.00 O ATOM 603 CB ILE A 48 2.234 10.512 2.809 1.00 0.00 C ATOM 604 CG1 ILE A 48 3.217 11.085 1.789 1.00 0.00 C ATOM 605 CG2 ILE A 48 1.463 11.657 3.474 1.00 0.00 C ATOM 606 CD1 ILE A 48 2.766 10.697 0.379 1.00 0.00 C ATOM 0 H ILE A 48 2.513 7.820 3.017 1.00 0.00 H new ATOM 0 HA ILE A 48 3.907 10.235 4.143 1.00 0.00 H new ATOM 0 HB ILE A 48 1.525 9.853 2.307 1.00 0.00 H new ATOM 0 HG12 ILE A 48 3.265 12.170 1.882 1.00 0.00 H new ATOM 0 HG13 ILE A 48 4.220 10.704 1.980 1.00 0.00 H new ATOM 0 HG21 ILE A 48 0.924 12.222 2.714 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.754 11.248 4.194 1.00 0.00 H new ATOM 0 HG23 ILE A 48 2.162 12.316 3.988 1.00 0.00 H new ATOM 0 HD11 ILE A 48 3.465 11.104 -0.352 1.00 0.00 H new ATOM 0 HD12 ILE A 48 2.741 9.611 0.291 1.00 0.00 H new ATOM 0 HD13 ILE A 48 1.770 11.099 0.192 1.00 0.00 H new ATOM 618 N SER A 49 1.588 8.342 5.317 1.00 0.00 N ATOM 619 CA SER A 49 0.742 8.184 6.537 1.00 0.00 C ATOM 620 C SER A 49 0.264 6.746 6.731 1.00 0.00 C ATOM 621 O SER A 49 0.316 5.921 5.847 1.00 0.00 O ATOM 622 CB SER A 49 -0.475 9.102 6.419 1.00 0.00 C ATOM 623 OG SER A 49 -0.633 9.837 7.625 1.00 0.00 O ATOM 0 H SER A 49 1.686 7.517 4.725 1.00 0.00 H new ATOM 0 HA SER A 49 1.352 8.449 7.401 1.00 0.00 H new ATOM 0 HB2 SER A 49 -0.349 9.785 5.579 1.00 0.00 H new ATOM 0 HB3 SER A 49 -1.370 8.513 6.220 1.00 0.00 H new ATOM 0 HG SER A 49 -1.412 10.427 7.549 1.00 0.00 H new ATOM 629 N ALA A 50 -0.217 6.472 7.909 1.00 0.00 N ATOM 630 CA ALA A 50 -0.739 5.117 8.252 1.00 0.00 C ATOM 631 C ALA A 50 -1.593 5.264 9.520 1.00 0.00 C ATOM 632 O ALA A 50 -1.072 5.474 10.597 1.00 0.00 O ATOM 633 CB ALA A 50 0.428 4.168 8.525 1.00 0.00 C ATOM 0 H ALA A 50 -0.272 7.148 8.671 1.00 0.00 H new ATOM 0 HA ALA A 50 -1.330 4.711 7.431 1.00 0.00 H new ATOM 0 HB1 ALA A 50 0.042 3.180 8.775 1.00 0.00 H new ATOM 0 HB2 ALA A 50 1.056 4.098 7.637 1.00 0.00 H new ATOM 0 HB3 ALA A 50 1.019 4.548 9.358 1.00 0.00 H new ATOM 639 N LYS A 51 -2.896 5.194 9.409 1.00 0.00 N ATOM 640 CA LYS A 51 -3.745 5.373 10.624 1.00 0.00 C ATOM 641 C LYS A 51 -4.896 4.370 10.636 1.00 0.00 C ATOM 642 O LYS A 51 -5.244 3.780 9.630 1.00 0.00 O ATOM 643 CB LYS A 51 -4.316 6.793 10.635 1.00 0.00 C ATOM 644 CG LYS A 51 -3.183 7.800 10.422 1.00 0.00 C ATOM 645 CD LYS A 51 -3.741 9.222 10.507 1.00 0.00 C ATOM 646 CE LYS A 51 -4.967 9.346 9.601 1.00 0.00 C ATOM 647 NZ LYS A 51 -4.980 10.694 8.967 1.00 0.00 N ATOM 0 H LYS A 51 -3.403 5.023 8.540 1.00 0.00 H new ATOM 0 HA LYS A 51 -3.128 5.206 11.507 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -5.065 6.901 9.851 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -4.817 6.988 11.583 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -2.408 7.656 11.175 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -2.717 7.639 9.450 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.012 9.457 11.536 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -2.979 9.941 10.206 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -4.946 8.572 8.834 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -5.878 9.196 10.181 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.813 10.780 8.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -5.019 11.425 9.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.116 10.820 8.401 1.00 0.00 H new ATOM 661 N ARG A 52 -5.486 4.190 11.783 1.00 0.00 N ATOM 662 CA ARG A 52 -6.622 3.232 11.912 1.00 0.00 C ATOM 663 C ARG A 52 -7.813 3.929 12.578 1.00 0.00 C ATOM 664 O ARG A 52 -8.009 3.811 13.772 1.00 0.00 O ATOM 665 CB ARG A 52 -6.212 2.040 12.807 1.00 0.00 C ATOM 666 CG ARG A 52 -5.067 2.458 13.735 1.00 0.00 C ATOM 667 CD ARG A 52 -4.551 1.232 14.491 1.00 0.00 C ATOM 668 NE ARG A 52 -4.858 1.379 15.942 1.00 0.00 N ATOM 669 CZ ARG A 52 -4.126 0.760 16.830 1.00 0.00 C ATOM 670 NH1 ARG A 52 -3.027 1.310 17.266 1.00 0.00 N ATOM 671 NH2 ARG A 52 -4.495 -0.409 17.278 1.00 0.00 N ATOM 0 H ARG A 52 -5.229 4.669 12.646 1.00 0.00 H new ATOM 0 HA ARG A 52 -6.890 2.881 10.915 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -7.066 1.705 13.396 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.902 1.198 12.188 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -4.261 2.907 13.156 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -5.413 3.214 14.440 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -5.016 0.327 14.100 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.476 1.127 14.344 1.00 0.00 H new ATOM 0 HE ARG A 52 -5.639 1.962 16.242 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -2.739 2.223 16.914 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -2.455 0.827 17.959 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.354 -0.839 16.935 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -3.924 -0.893 17.971 1.00 0.00 H new ATOM 685 N GLN A 53 -8.623 4.635 11.831 1.00 0.00 N ATOM 686 CA GLN A 53 -9.803 5.297 12.459 1.00 0.00 C ATOM 687 C GLN A 53 -10.485 4.267 13.362 1.00 0.00 C ATOM 688 O GLN A 53 -10.418 3.080 13.108 1.00 0.00 O ATOM 689 CB GLN A 53 -10.775 5.768 11.374 1.00 0.00 C ATOM 690 CG GLN A 53 -10.694 7.289 11.243 1.00 0.00 C ATOM 691 CD GLN A 53 -9.711 7.653 10.128 1.00 0.00 C ATOM 692 OE1 GLN A 53 -10.107 7.889 9.004 1.00 0.00 O ATOM 693 NE2 GLN A 53 -8.434 7.710 10.395 1.00 0.00 N ATOM 0 H GLN A 53 -8.520 4.780 10.827 1.00 0.00 H new ATOM 0 HA GLN A 53 -9.492 6.166 13.039 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -10.530 5.297 10.422 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -11.792 5.468 11.626 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -11.680 7.699 11.022 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -10.370 7.729 12.186 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.101 7.512 11.339 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -7.770 7.953 9.660 1.00 0.00 H new ATOM 702 N LEU A 54 -11.105 4.687 14.431 1.00 0.00 N ATOM 703 CA LEU A 54 -11.732 3.689 15.342 1.00 0.00 C ATOM 704 C LEU A 54 -13.251 3.864 15.429 1.00 0.00 C ATOM 705 O LEU A 54 -13.760 4.573 16.274 1.00 0.00 O ATOM 706 CB LEU A 54 -11.131 3.839 16.740 1.00 0.00 C ATOM 707 CG LEU A 54 -11.643 2.711 17.637 1.00 0.00 C ATOM 708 CD1 LEU A 54 -10.651 1.547 17.609 1.00 0.00 C ATOM 709 CD2 LEU A 54 -11.784 3.225 19.072 1.00 0.00 C ATOM 0 H LEU A 54 -11.204 5.663 14.710 1.00 0.00 H new ATOM 0 HA LEU A 54 -11.532 2.697 14.938 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -10.043 3.809 16.685 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -11.403 4.806 17.163 1.00 0.00 H new ATOM 0 HG LEU A 54 -12.613 2.371 17.275 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -11.016 0.743 18.248 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -10.549 1.181 16.588 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -9.681 1.887 17.971 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -12.149 2.422 19.712 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -10.814 3.565 19.434 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -12.490 4.055 19.093 1.00 0.00 H new ATOM 721 N VAL A 55 -13.977 3.179 14.588 1.00 0.00 N ATOM 722 CA VAL A 55 -15.462 3.243 14.639 1.00 0.00 C ATOM 723 C VAL A 55 -15.946 1.811 14.873 1.00 0.00 C ATOM 724 O VAL A 55 -15.213 1.009 15.420 1.00 0.00 O ATOM 725 CB VAL A 55 -15.996 3.798 13.311 1.00 0.00 C ATOM 726 CG1 VAL A 55 -16.027 2.695 12.247 1.00 0.00 C ATOM 727 CG2 VAL A 55 -17.407 4.352 13.518 1.00 0.00 C ATOM 0 H VAL A 55 -13.599 2.572 13.861 1.00 0.00 H new ATOM 0 HA VAL A 55 -15.817 3.900 15.433 1.00 0.00 H new ATOM 0 HB VAL A 55 -15.336 4.596 12.971 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -16.408 3.103 11.311 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -15.019 2.311 12.092 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -16.676 1.886 12.581 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -17.785 4.746 12.575 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -18.063 3.555 13.868 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -17.379 5.151 14.259 1.00 0.00 H new ATOM 737 N SER A 56 -17.142 1.456 14.471 1.00 0.00 N ATOM 738 CA SER A 56 -17.587 0.040 14.689 1.00 0.00 C ATOM 739 C SER A 56 -16.422 -0.900 14.359 1.00 0.00 C ATOM 740 O SER A 56 -16.290 -1.965 14.918 1.00 0.00 O ATOM 741 CB SER A 56 -18.771 -0.295 13.770 1.00 0.00 C ATOM 742 OG SER A 56 -18.339 -0.254 12.417 1.00 0.00 O ATOM 0 H SER A 56 -17.817 2.067 14.012 1.00 0.00 H new ATOM 0 HA SER A 56 -17.896 -0.082 15.727 1.00 0.00 H new ATOM 0 HB2 SER A 56 -19.164 -1.283 14.009 1.00 0.00 H new ATOM 0 HB3 SER A 56 -19.581 0.417 13.927 1.00 0.00 H new ATOM 0 HG SER A 56 -19.091 -0.469 11.827 1.00 0.00 H new ATOM 748 N GLY A 57 -15.569 -0.484 13.469 1.00 0.00 N ATOM 749 CA GLY A 57 -14.388 -1.302 13.090 1.00 0.00 C ATOM 750 C GLY A 57 -13.255 -0.319 12.758 1.00 0.00 C ATOM 751 O GLY A 57 -13.482 0.874 12.720 1.00 0.00 O ATOM 0 H GLY A 57 -15.643 0.407 12.978 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -14.099 -1.964 13.906 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.615 -1.934 12.232 1.00 0.00 H new ATOM 755 N ILE A 58 -12.041 -0.757 12.523 1.00 0.00 N ATOM 756 CA ILE A 58 -10.988 0.247 12.216 1.00 0.00 C ATOM 757 C ILE A 58 -11.004 0.599 10.737 1.00 0.00 C ATOM 758 O ILE A 58 -11.404 -0.177 9.897 1.00 0.00 O ATOM 759 CB ILE A 58 -9.610 -0.320 12.532 1.00 0.00 C ATOM 760 CG1 ILE A 58 -9.456 -0.468 14.031 1.00 0.00 C ATOM 761 CG2 ILE A 58 -8.527 0.620 12.002 1.00 0.00 C ATOM 762 CD1 ILE A 58 -9.751 -1.911 14.374 1.00 0.00 C ATOM 0 H ILE A 58 -11.745 -1.733 12.530 1.00 0.00 H new ATOM 0 HA ILE A 58 -11.189 1.131 12.821 1.00 0.00 H new ATOM 0 HB ILE A 58 -9.506 -1.294 12.054 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -8.447 -0.198 14.342 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -10.140 0.199 14.555 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -7.544 0.209 12.231 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -8.633 0.726 10.922 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -8.630 1.597 12.474 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -9.650 -2.057 15.449 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -10.768 -2.157 14.068 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -9.048 -2.560 13.852 1.00 0.00 H new ATOM 774 N LYS A 59 -10.491 1.741 10.417 1.00 0.00 N ATOM 775 CA LYS A 59 -10.373 2.127 8.996 1.00 0.00 C ATOM 776 C LYS A 59 -8.904 2.398 8.783 1.00 0.00 C ATOM 777 O LYS A 59 -8.288 3.182 9.470 1.00 0.00 O ATOM 778 CB LYS A 59 -11.185 3.369 8.671 1.00 0.00 C ATOM 779 CG LYS A 59 -12.323 3.527 9.680 1.00 0.00 C ATOM 780 CD LYS A 59 -13.360 4.508 9.131 1.00 0.00 C ATOM 781 CE LYS A 59 -14.311 4.931 10.253 1.00 0.00 C ATOM 782 NZ LYS A 59 -15.678 5.130 9.697 1.00 0.00 N ATOM 0 H LYS A 59 -10.145 2.431 11.084 1.00 0.00 H new ATOM 0 HA LYS A 59 -10.757 1.340 8.347 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.543 4.250 8.693 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.590 3.295 7.662 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -12.788 2.560 9.874 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -11.932 3.889 10.631 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -12.862 5.383 8.713 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.922 4.043 8.320 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -14.331 4.170 11.033 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -13.957 5.852 10.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -16.324 5.417 10.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -15.652 5.871 8.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -16.014 4.241 9.275 1.00 0.00 H new ATOM 796 N TYR A 60 -8.344 1.717 7.865 1.00 0.00 N ATOM 797 CA TYR A 60 -6.886 1.863 7.609 1.00 0.00 C ATOM 798 C TYR A 60 -6.652 2.929 6.554 1.00 0.00 C ATOM 799 O TYR A 60 -6.634 2.648 5.375 1.00 0.00 O ATOM 800 CB TYR A 60 -6.323 0.536 7.117 1.00 0.00 C ATOM 801 CG TYR A 60 -5.946 -0.378 8.283 1.00 0.00 C ATOM 802 CD1 TYR A 60 -6.196 -0.006 9.620 1.00 0.00 C ATOM 803 CD2 TYR A 60 -5.334 -1.615 8.021 1.00 0.00 C ATOM 804 CE1 TYR A 60 -5.833 -0.866 10.664 1.00 0.00 C ATOM 805 CE2 TYR A 60 -4.975 -2.465 9.069 1.00 0.00 C ATOM 806 CZ TYR A 60 -5.224 -2.092 10.389 1.00 0.00 C ATOM 807 OH TYR A 60 -4.869 -2.933 11.425 1.00 0.00 O ATOM 0 H TYR A 60 -8.825 1.050 7.261 1.00 0.00 H new ATOM 0 HA TYR A 60 -6.387 2.155 8.533 1.00 0.00 H new ATOM 0 HB2 TYR A 60 -7.060 0.038 6.486 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -5.445 0.719 6.498 1.00 0.00 H new ATOM 0 HD1 TYR A 60 -6.667 0.941 9.839 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -5.140 -1.911 7.001 1.00 0.00 H new ATOM 0 HE1 TYR A 60 -6.025 -0.579 11.687 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -4.504 -3.413 8.857 1.00 0.00 H new ATOM 0 HH TYR A 60 -4.458 -3.745 11.061 1.00 0.00 H new ATOM 817 N ILE A 61 -6.443 4.149 6.954 1.00 0.00 N ATOM 818 CA ILE A 61 -6.189 5.194 5.945 1.00 0.00 C ATOM 819 C ILE A 61 -4.686 5.320 5.803 1.00 0.00 C ATOM 820 O ILE A 61 -3.985 5.699 6.716 1.00 0.00 O ATOM 821 CB ILE A 61 -6.726 6.524 6.401 1.00 0.00 C ATOM 822 CG1 ILE A 61 -7.771 6.340 7.508 1.00 0.00 C ATOM 823 CG2 ILE A 61 -7.353 7.263 5.216 1.00 0.00 C ATOM 824 CD1 ILE A 61 -8.837 5.346 7.043 1.00 0.00 C ATOM 0 H ILE A 61 -6.438 4.460 7.925 1.00 0.00 H new ATOM 0 HA ILE A 61 -6.675 4.923 5.008 1.00 0.00 H new ATOM 0 HB ILE A 61 -5.899 7.111 6.801 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -7.293 5.977 8.418 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -8.232 7.297 7.750 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -7.740 8.225 5.551 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -6.598 7.424 4.447 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -8.168 6.667 4.805 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -9.580 5.215 7.830 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -9.323 5.727 6.145 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -8.369 4.387 6.823 1.00 0.00 H new ATOM 836 N LEU A 62 -4.194 4.941 4.693 1.00 0.00 N ATOM 837 CA LEU A 62 -2.764 4.936 4.458 1.00 0.00 C ATOM 838 C LEU A 62 -2.397 5.776 3.248 1.00 0.00 C ATOM 839 O LEU A 62 -3.134 5.871 2.289 1.00 0.00 O ATOM 840 CB LEU A 62 -2.467 3.509 4.144 1.00 0.00 C ATOM 841 CG LEU A 62 -1.098 3.119 4.625 1.00 0.00 C ATOM 842 CD1 LEU A 62 -0.982 1.626 4.461 1.00 0.00 C ATOM 843 CD2 LEU A 62 -0.063 3.793 3.762 1.00 0.00 C ATOM 0 H LEU A 62 -4.752 4.619 3.902 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.215 5.339 5.309 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -3.215 2.868 4.611 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.536 3.349 3.068 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.945 3.414 5.663 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.001 1.298 4.800 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -1.753 1.134 5.054 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -1.110 1.364 3.411 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.934 3.515 4.105 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.192 3.478 2.726 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.181 4.874 3.830 1.00 0.00 H new ATOM 855 N GLN A 63 -1.223 6.306 3.251 1.00 0.00 N ATOM 856 CA GLN A 63 -0.745 7.038 2.083 1.00 0.00 C ATOM 857 C GLN A 63 0.388 6.200 1.583 1.00 0.00 C ATOM 858 O GLN A 63 1.020 5.504 2.342 1.00 0.00 O ATOM 859 CB GLN A 63 -0.226 8.400 2.458 1.00 0.00 C ATOM 860 CG GLN A 63 -1.252 9.135 3.322 1.00 0.00 C ATOM 861 CD GLN A 63 -2.617 9.104 2.632 1.00 0.00 C ATOM 862 OE1 GLN A 63 -3.566 8.560 3.161 1.00 0.00 O ATOM 863 NE2 GLN A 63 -2.758 9.669 1.465 1.00 0.00 N ATOM 0 H GLN A 63 -0.567 6.259 4.030 1.00 0.00 H new ATOM 0 HA GLN A 63 -1.537 7.199 1.352 1.00 0.00 H new ATOM 0 HB2 GLN A 63 0.714 8.302 3.001 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -0.016 8.978 1.558 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -1.318 8.666 4.304 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -0.937 10.166 3.481 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -1.962 10.126 1.020 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -3.664 9.654 0.997 1.00 0.00 H new ATOM 872 N VAL A 64 0.688 6.250 0.353 1.00 0.00 N ATOM 873 CA VAL A 64 1.809 5.390 -0.090 1.00 0.00 C ATOM 874 C VAL A 64 2.418 5.882 -1.378 1.00 0.00 C ATOM 875 O VAL A 64 1.870 5.718 -2.447 1.00 0.00 O ATOM 876 CB VAL A 64 1.362 3.911 -0.283 1.00 0.00 C ATOM 877 CG1 VAL A 64 0.780 3.368 1.019 1.00 0.00 C ATOM 878 CG2 VAL A 64 0.310 3.786 -1.380 1.00 0.00 C ATOM 0 H VAL A 64 0.236 6.822 -0.361 1.00 0.00 H new ATOM 0 HA VAL A 64 2.556 5.440 0.702 1.00 0.00 H new ATOM 0 HB VAL A 64 2.242 3.336 -0.572 1.00 0.00 H new ATOM 0 HG11 VAL A 64 0.470 2.333 0.875 1.00 0.00 H new ATOM 0 HG12 VAL A 64 1.536 3.415 1.803 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -0.082 3.968 1.310 1.00 0.00 H new ATOM 0 HG21 VAL A 64 0.020 2.741 -1.489 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -0.565 4.380 -1.114 1.00 0.00 H new ATOM 0 HG23 VAL A 64 0.722 4.148 -2.322 1.00 0.00 H new ATOM 888 N GLU A 65 3.588 6.415 -1.300 1.00 0.00 N ATOM 889 CA GLU A 65 4.260 6.821 -2.535 1.00 0.00 C ATOM 890 C GLU A 65 4.884 5.526 -3.063 1.00 0.00 C ATOM 891 O GLU A 65 5.739 4.939 -2.434 1.00 0.00 O ATOM 892 CB GLU A 65 5.290 7.904 -2.228 1.00 0.00 C ATOM 893 CG GLU A 65 5.958 8.365 -3.526 1.00 0.00 C ATOM 894 CD GLU A 65 5.559 9.813 -3.819 1.00 0.00 C ATOM 895 OE1 GLU A 65 4.459 10.188 -3.451 1.00 0.00 O ATOM 896 OE2 GLU A 65 6.359 10.520 -4.407 1.00 0.00 O ATOM 0 H GLU A 65 4.104 6.585 -0.437 1.00 0.00 H new ATOM 0 HA GLU A 65 3.597 7.261 -3.280 1.00 0.00 H new ATOM 0 HB2 GLU A 65 4.808 8.749 -1.736 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.041 7.520 -1.538 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.042 8.286 -3.438 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.657 7.720 -4.351 1.00 0.00 H new ATOM 903 N ILE A 66 4.399 5.035 -4.178 1.00 0.00 N ATOM 904 CA ILE A 66 4.894 3.730 -4.722 1.00 0.00 C ATOM 905 C ILE A 66 6.121 3.944 -5.592 1.00 0.00 C ATOM 906 O ILE A 66 6.207 4.862 -6.383 1.00 0.00 O ATOM 907 CB ILE A 66 3.775 3.016 -5.500 1.00 0.00 C ATOM 908 CG1 ILE A 66 2.448 3.779 -5.405 1.00 0.00 C ATOM 909 CG2 ILE A 66 3.534 1.625 -4.920 1.00 0.00 C ATOM 910 CD1 ILE A 66 1.909 3.693 -3.971 1.00 0.00 C ATOM 0 H ILE A 66 3.676 5.486 -4.739 1.00 0.00 H new ATOM 0 HA ILE A 66 5.186 3.091 -3.888 1.00 0.00 H new ATOM 0 HB ILE A 66 4.099 2.961 -6.539 1.00 0.00 H new ATOM 0 HG12 ILE A 66 2.595 4.821 -5.688 1.00 0.00 H new ATOM 0 HG13 ILE A 66 1.724 3.358 -6.103 1.00 0.00 H new ATOM 0 HG21 ILE A 66 2.740 1.130 -5.479 1.00 0.00 H new ATOM 0 HG22 ILE A 66 4.449 1.037 -4.992 1.00 0.00 H new ATOM 0 HG23 ILE A 66 3.241 1.713 -3.874 1.00 0.00 H new ATOM 0 HD11 ILE A 66 0.966 4.235 -3.904 1.00 0.00 H new ATOM 0 HD12 ILE A 66 1.747 2.648 -3.705 1.00 0.00 H new ATOM 0 HD13 ILE A 66 2.631 4.134 -3.284 1.00 0.00 H new ATOM 922 N GLY A 67 7.122 3.143 -5.333 1.00 0.00 N ATOM 923 CA GLY A 67 8.427 3.290 -5.980 1.00 0.00 C ATOM 924 C GLY A 67 8.605 2.400 -7.186 1.00 0.00 C ATOM 925 O GLY A 67 7.671 1.880 -7.730 1.00 0.00 O ATOM 0 H GLY A 67 7.069 2.368 -4.672 1.00 0.00 H new ATOM 0 HA2 GLY A 67 8.559 4.329 -6.282 1.00 0.00 H new ATOM 0 HA3 GLY A 67 9.210 3.067 -5.255 1.00 0.00 H new ATOM 929 N ARG A 68 9.805 2.364 -7.679 1.00 0.00 N ATOM 930 CA ARG A 68 10.081 1.705 -8.956 1.00 0.00 C ATOM 931 C ARG A 68 10.390 0.217 -8.981 1.00 0.00 C ATOM 932 O ARG A 68 11.191 -0.277 -8.216 1.00 0.00 O ATOM 933 CB ARG A 68 11.301 2.475 -9.497 1.00 0.00 C ATOM 934 CG ARG A 68 12.594 1.877 -8.930 1.00 0.00 C ATOM 935 CD ARG A 68 13.640 2.983 -8.775 1.00 0.00 C ATOM 936 NE ARG A 68 13.417 3.701 -7.490 1.00 0.00 N ATOM 937 CZ ARG A 68 14.308 4.551 -7.054 1.00 0.00 C ATOM 938 NH1 ARG A 68 15.236 4.991 -7.859 1.00 0.00 N ATOM 939 NH2 ARG A 68 14.270 4.960 -5.816 1.00 0.00 N ATOM 0 H ARG A 68 10.622 2.778 -7.230 1.00 0.00 H new ATOM 0 HA ARG A 68 9.158 1.738 -9.534 1.00 0.00 H new ATOM 0 HB2 ARG A 68 11.317 2.429 -10.586 1.00 0.00 H new ATOM 0 HB3 ARG A 68 11.227 3.528 -9.224 1.00 0.00 H new ATOM 0 HG2 ARG A 68 12.399 1.408 -7.966 1.00 0.00 H new ATOM 0 HG3 ARG A 68 12.969 1.097 -9.593 1.00 0.00 H new ATOM 0 HD2 ARG A 68 14.642 2.556 -8.796 1.00 0.00 H new ATOM 0 HD3 ARG A 68 13.574 3.681 -9.610 1.00 0.00 H new ATOM 0 HE ARG A 68 12.569 3.529 -6.950 1.00 0.00 H new ATOM 0 HH11 ARG A 68 15.265 4.671 -8.827 1.00 0.00 H new ATOM 0 HH12 ARG A 68 15.932 5.655 -7.520 1.00 0.00 H new ATOM 0 HH21 ARG A 68 13.544 4.616 -5.187 1.00 0.00 H new ATOM 0 HH22 ARG A 68 14.966 5.624 -5.477 1.00 0.00 H new ATOM 953 N THR A 69 9.842 -0.464 -10.005 1.00 0.00 N ATOM 954 CA THR A 69 10.188 -1.855 -10.231 1.00 0.00 C ATOM 955 C THR A 69 9.346 -2.455 -11.358 1.00 0.00 C ATOM 956 O THR A 69 8.587 -3.375 -11.160 1.00 0.00 O ATOM 957 CB THR A 69 10.038 -2.610 -8.939 1.00 0.00 C ATOM 958 OG1 THR A 69 10.444 -3.960 -9.112 1.00 0.00 O ATOM 959 CG2 THR A 69 8.587 -2.547 -8.479 1.00 0.00 C ATOM 0 H THR A 69 9.173 -0.073 -10.669 1.00 0.00 H new ATOM 0 HA THR A 69 11.226 -1.930 -10.556 1.00 0.00 H new ATOM 0 HB THR A 69 10.673 -2.154 -8.179 1.00 0.00 H new ATOM 0 HG1 THR A 69 10.299 -4.228 -10.043 1.00 0.00 H new ATOM 0 HG21 THR A 69 8.478 -3.094 -7.543 1.00 0.00 H new ATOM 0 HG22 THR A 69 8.298 -1.507 -8.327 1.00 0.00 H new ATOM 0 HG23 THR A 69 7.945 -2.995 -9.238 1.00 0.00 H new ATOM 967 N THR A 70 9.506 -1.912 -12.546 1.00 0.00 N ATOM 968 CA THR A 70 8.764 -2.395 -13.755 1.00 0.00 C ATOM 969 C THR A 70 8.287 -3.828 -13.568 1.00 0.00 C ATOM 970 O THR A 70 7.225 -4.058 -13.035 1.00 0.00 O ATOM 971 CB THR A 70 9.653 -2.335 -15.013 1.00 0.00 C ATOM 972 OG1 THR A 70 9.176 -3.284 -15.955 1.00 0.00 O ATOM 973 CG2 THR A 70 11.116 -2.661 -14.689 1.00 0.00 C ATOM 0 H THR A 70 10.138 -1.133 -12.730 1.00 0.00 H new ATOM 0 HA THR A 70 7.904 -1.737 -13.884 1.00 0.00 H new ATOM 0 HB THR A 70 9.607 -1.322 -15.413 1.00 0.00 H new ATOM 0 HG1 THR A 70 8.392 -2.921 -16.417 1.00 0.00 H new ATOM 0 HG21 THR A 70 11.711 -2.608 -15.601 1.00 0.00 H new ATOM 0 HG22 THR A 70 11.497 -1.941 -13.965 1.00 0.00 H new ATOM 0 HG23 THR A 70 11.181 -3.665 -14.271 1.00 0.00 H new ATOM 981 N CYS A 71 9.047 -4.796 -14.016 1.00 0.00 N ATOM 982 CA CYS A 71 8.596 -6.208 -13.865 1.00 0.00 C ATOM 983 C CYS A 71 7.109 -6.258 -14.216 1.00 0.00 C ATOM 984 O CYS A 71 6.267 -6.340 -13.345 1.00 0.00 O ATOM 985 CB CYS A 71 8.813 -6.658 -12.418 1.00 0.00 C ATOM 986 SG CYS A 71 10.583 -6.895 -12.118 1.00 0.00 S ATOM 0 H CYS A 71 9.949 -4.670 -14.474 1.00 0.00 H new ATOM 0 HA CYS A 71 9.160 -6.871 -14.521 1.00 0.00 H new ATOM 0 HB2 CYS A 71 8.413 -5.913 -11.730 1.00 0.00 H new ATOM 0 HB3 CYS A 71 8.274 -7.587 -12.230 1.00 0.00 H new ATOM 991 N PRO A 72 6.838 -6.154 -15.488 1.00 0.00 N ATOM 992 CA PRO A 72 5.447 -6.120 -16.024 1.00 0.00 C ATOM 993 C PRO A 72 4.793 -7.494 -15.933 1.00 0.00 C ATOM 994 O PRO A 72 3.956 -7.747 -15.090 1.00 0.00 O ATOM 995 CB PRO A 72 5.641 -5.696 -17.475 1.00 0.00 C ATOM 996 CG PRO A 72 7.067 -6.065 -17.855 1.00 0.00 C ATOM 997 CD PRO A 72 7.882 -6.080 -16.561 1.00 0.00 C ATOM 0 HA PRO A 72 4.791 -5.449 -15.470 1.00 0.00 H new ATOM 0 HB2 PRO A 72 4.925 -6.201 -18.124 1.00 0.00 H new ATOM 0 HB3 PRO A 72 5.475 -4.625 -17.590 1.00 0.00 H new ATOM 0 HG2 PRO A 72 7.097 -7.040 -18.342 1.00 0.00 H new ATOM 0 HG3 PRO A 72 7.477 -5.343 -18.561 1.00 0.00 H new ATOM 0 HD2 PRO A 72 8.558 -6.934 -16.523 1.00 0.00 H new ATOM 0 HD3 PRO A 72 8.495 -5.184 -16.463 1.00 0.00 H new ATOM 1005 N LYS A 73 5.173 -8.378 -16.798 1.00 0.00 N ATOM 1006 CA LYS A 73 4.582 -9.744 -16.785 1.00 0.00 C ATOM 1007 C LYS A 73 4.935 -10.433 -15.465 1.00 0.00 C ATOM 1008 O LYS A 73 4.077 -10.682 -14.642 1.00 0.00 O ATOM 1009 CB LYS A 73 5.145 -10.555 -17.953 1.00 0.00 C ATOM 1010 CG LYS A 73 4.050 -11.462 -18.517 1.00 0.00 C ATOM 1011 CD LYS A 73 3.781 -11.092 -19.977 1.00 0.00 C ATOM 1012 CE LYS A 73 3.838 -12.353 -20.842 1.00 0.00 C ATOM 1013 NZ LYS A 73 4.938 -12.221 -21.839 1.00 0.00 N ATOM 0 H LYS A 73 5.873 -8.217 -17.522 1.00 0.00 H new ATOM 0 HA LYS A 73 3.499 -9.676 -16.883 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.514 -9.886 -18.730 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.992 -11.154 -17.619 1.00 0.00 H new ATOM 0 HG2 LYS A 73 4.356 -12.506 -18.446 1.00 0.00 H new ATOM 0 HG3 LYS A 73 3.138 -11.356 -17.930 1.00 0.00 H new ATOM 0 HD2 LYS A 73 2.803 -10.619 -20.069 1.00 0.00 H new ATOM 0 HD3 LYS A 73 4.519 -10.368 -20.322 1.00 0.00 H new ATOM 0 HE2 LYS A 73 4.003 -13.230 -20.216 1.00 0.00 H new ATOM 0 HE3 LYS A 73 2.886 -12.501 -21.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 4.978 -13.078 -22.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.761 -11.393 -22.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 5.844 -12.100 -21.343 1.00 0.00 H new ATOM 1027 N SER A 74 6.193 -10.740 -15.256 1.00 0.00 N ATOM 1028 CA SER A 74 6.600 -11.413 -13.987 1.00 0.00 C ATOM 1029 C SER A 74 7.956 -12.098 -14.180 1.00 0.00 C ATOM 1030 O SER A 74 8.901 -11.833 -13.465 1.00 0.00 O ATOM 1031 CB SER A 74 5.557 -12.467 -13.603 1.00 0.00 C ATOM 1032 OG SER A 74 4.688 -11.935 -12.613 1.00 0.00 O ATOM 0 H SER A 74 6.953 -10.553 -15.910 1.00 0.00 H new ATOM 0 HA SER A 74 6.674 -10.667 -13.196 1.00 0.00 H new ATOM 0 HB2 SER A 74 4.985 -12.765 -14.482 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.051 -13.362 -13.225 1.00 0.00 H new ATOM 0 HG SER A 74 3.968 -11.431 -13.046 1.00 0.00 H new ATOM 1038 N SER A 75 8.061 -12.983 -15.141 1.00 0.00 N ATOM 1039 CA SER A 75 9.357 -13.687 -15.368 1.00 0.00 C ATOM 1040 C SER A 75 10.513 -12.690 -15.292 1.00 0.00 C ATOM 1041 O SER A 75 11.634 -13.047 -14.988 1.00 0.00 O ATOM 1042 CB SER A 75 9.344 -14.350 -16.747 1.00 0.00 C ATOM 1043 OG SER A 75 8.079 -14.960 -16.966 1.00 0.00 O ATOM 0 H SER A 75 7.307 -13.246 -15.775 1.00 0.00 H new ATOM 0 HA SER A 75 9.490 -14.447 -14.598 1.00 0.00 H new ATOM 0 HB2 SER A 75 9.541 -13.608 -17.521 1.00 0.00 H new ATOM 0 HB3 SER A 75 10.136 -15.096 -16.811 1.00 0.00 H new ATOM 0 HG SER A 75 7.484 -14.326 -17.418 1.00 0.00 H new ATOM 1049 N GLY A 76 10.251 -11.446 -15.565 1.00 0.00 N ATOM 1050 CA GLY A 76 11.336 -10.426 -15.511 1.00 0.00 C ATOM 1051 C GLY A 76 11.443 -9.871 -14.087 1.00 0.00 C ATOM 1052 O GLY A 76 11.658 -8.691 -13.888 1.00 0.00 O ATOM 0 H GLY A 76 9.332 -11.088 -15.824 1.00 0.00 H new ATOM 0 HA2 GLY A 76 12.284 -10.872 -15.812 1.00 0.00 H new ATOM 0 HA3 GLY A 76 11.126 -9.619 -16.213 1.00 0.00 H new ATOM 1056 N ASP A 77 11.297 -10.709 -13.098 1.00 0.00 N ATOM 1057 CA ASP A 77 11.392 -10.226 -11.691 1.00 0.00 C ATOM 1058 C ASP A 77 12.548 -10.936 -10.983 1.00 0.00 C ATOM 1059 O ASP A 77 12.456 -11.283 -9.822 1.00 0.00 O ATOM 1060 CB ASP A 77 10.083 -10.526 -10.959 1.00 0.00 C ATOM 1061 CG ASP A 77 9.796 -9.413 -9.949 1.00 0.00 C ATOM 1062 OD1 ASP A 77 10.682 -9.103 -9.171 1.00 0.00 O ATOM 1063 OD2 ASP A 77 8.695 -8.888 -9.974 1.00 0.00 O ATOM 0 H ASP A 77 11.116 -11.707 -13.203 1.00 0.00 H new ATOM 0 HA ASP A 77 11.571 -9.151 -11.688 1.00 0.00 H new ATOM 0 HB2 ASP A 77 9.264 -10.603 -11.674 1.00 0.00 H new ATOM 0 HB3 ASP A 77 10.152 -11.486 -10.448 1.00 0.00 H new ATOM 1068 N LEU A 78 13.633 -11.159 -11.671 1.00 0.00 N ATOM 1069 CA LEU A 78 14.792 -11.847 -11.035 1.00 0.00 C ATOM 1070 C LEU A 78 15.308 -11.007 -9.862 1.00 0.00 C ATOM 1071 O LEU A 78 15.115 -11.352 -8.713 1.00 0.00 O ATOM 1072 CB LEU A 78 15.908 -12.022 -12.067 1.00 0.00 C ATOM 1073 CG LEU A 78 15.886 -13.454 -12.605 1.00 0.00 C ATOM 1074 CD1 LEU A 78 15.066 -13.503 -13.896 1.00 0.00 C ATOM 1075 CD2 LEU A 78 17.317 -13.911 -12.892 1.00 0.00 C ATOM 0 H LEU A 78 13.768 -10.895 -12.647 1.00 0.00 H new ATOM 0 HA LEU A 78 14.477 -12.824 -10.669 1.00 0.00 H new ATOM 0 HB2 LEU A 78 15.776 -11.313 -12.884 1.00 0.00 H new ATOM 0 HB3 LEU A 78 16.875 -11.808 -11.612 1.00 0.00 H new ATOM 0 HG LEU A 78 15.434 -14.114 -11.864 1.00 0.00 H new ATOM 0 HD11 LEU A 78 15.051 -14.523 -14.279 1.00 0.00 H new ATOM 0 HD12 LEU A 78 14.046 -13.177 -13.692 1.00 0.00 H new ATOM 0 HD13 LEU A 78 15.516 -12.844 -14.638 1.00 0.00 H new ATOM 0 HD21 LEU A 78 17.303 -14.931 -13.275 1.00 0.00 H new ATOM 0 HD22 LEU A 78 17.768 -13.251 -13.633 1.00 0.00 H new ATOM 0 HD23 LEU A 78 17.901 -13.877 -11.972 1.00 0.00 H new ATOM 1087 N GLN A 79 15.966 -9.909 -10.136 1.00 0.00 N ATOM 1088 CA GLN A 79 16.489 -9.061 -9.026 1.00 0.00 C ATOM 1089 C GLN A 79 16.791 -7.657 -9.548 1.00 0.00 C ATOM 1090 O GLN A 79 16.903 -7.433 -10.737 1.00 0.00 O ATOM 1091 CB GLN A 79 17.770 -9.685 -8.469 1.00 0.00 C ATOM 1092 CG GLN A 79 18.547 -10.359 -9.603 1.00 0.00 C ATOM 1093 CD GLN A 79 20.037 -10.379 -9.259 1.00 0.00 C ATOM 1094 OE1 GLN A 79 20.576 -9.399 -8.785 1.00 0.00 O ATOM 1095 NE2 GLN A 79 20.731 -11.463 -9.479 1.00 0.00 N ATOM 0 H GLN A 79 16.162 -9.566 -11.076 1.00 0.00 H new ATOM 0 HA GLN A 79 15.740 -8.998 -8.236 1.00 0.00 H new ATOM 0 HB2 GLN A 79 18.385 -8.918 -7.998 1.00 0.00 H new ATOM 0 HB3 GLN A 79 17.525 -10.415 -7.698 1.00 0.00 H new ATOM 0 HG2 GLN A 79 18.184 -11.376 -9.753 1.00 0.00 H new ATOM 0 HG3 GLN A 79 18.386 -9.822 -10.538 1.00 0.00 H new ATOM 0 HE21 GLN A 79 20.279 -12.286 -9.877 1.00 0.00 H new ATOM 0 HE22 GLN A 79 21.725 -11.487 -9.253 1.00 0.00 H new ATOM 1104 N SER A 80 16.926 -6.710 -8.662 1.00 0.00 N ATOM 1105 CA SER A 80 17.225 -5.315 -9.098 1.00 0.00 C ATOM 1106 C SER A 80 16.124 -4.817 -10.047 1.00 0.00 C ATOM 1107 O SER A 80 16.404 -4.236 -11.077 1.00 0.00 O ATOM 1108 CB SER A 80 18.569 -5.293 -9.830 1.00 0.00 C ATOM 1109 OG SER A 80 19.180 -4.022 -9.660 1.00 0.00 O ATOM 0 H SER A 80 16.842 -6.841 -7.654 1.00 0.00 H new ATOM 0 HA SER A 80 17.267 -4.666 -8.223 1.00 0.00 H new ATOM 0 HB2 SER A 80 19.220 -6.076 -9.441 1.00 0.00 H new ATOM 0 HB3 SER A 80 18.421 -5.498 -10.890 1.00 0.00 H new ATOM 0 HG SER A 80 20.041 -4.008 -10.127 1.00 0.00 H new ATOM 1115 N CYS A 81 14.876 -5.036 -9.714 1.00 0.00 N ATOM 1116 CA CYS A 81 13.779 -4.571 -10.609 1.00 0.00 C ATOM 1117 C CYS A 81 13.490 -3.089 -10.334 1.00 0.00 C ATOM 1118 O CYS A 81 13.288 -2.688 -9.205 1.00 0.00 O ATOM 1119 CB CYS A 81 12.523 -5.405 -10.337 1.00 0.00 C ATOM 1120 SG CYS A 81 11.268 -5.065 -11.598 1.00 0.00 S ATOM 0 H CYS A 81 14.573 -5.514 -8.865 1.00 0.00 H new ATOM 0 HA CYS A 81 14.075 -4.690 -11.651 1.00 0.00 H new ATOM 0 HB2 CYS A 81 12.774 -6.466 -10.338 1.00 0.00 H new ATOM 0 HB3 CYS A 81 12.129 -5.172 -9.348 1.00 0.00 H new ATOM 1125 N GLU A 82 13.473 -2.272 -11.356 1.00 0.00 N ATOM 1126 CA GLU A 82 13.202 -0.817 -11.145 1.00 0.00 C ATOM 1127 C GLU A 82 12.144 -0.335 -12.144 1.00 0.00 C ATOM 1128 O GLU A 82 12.098 -0.793 -13.265 1.00 0.00 O ATOM 1129 CB GLU A 82 14.493 -0.022 -11.350 1.00 0.00 C ATOM 1130 CG GLU A 82 15.544 -0.486 -10.338 1.00 0.00 C ATOM 1131 CD GLU A 82 16.914 -0.540 -11.015 1.00 0.00 C ATOM 1132 OE1 GLU A 82 17.500 0.513 -11.210 1.00 0.00 O ATOM 1133 OE2 GLU A 82 17.355 -1.633 -11.329 1.00 0.00 O ATOM 0 H GLU A 82 13.634 -2.548 -12.325 1.00 0.00 H new ATOM 0 HA GLU A 82 12.835 -0.665 -10.130 1.00 0.00 H new ATOM 0 HB2 GLU A 82 14.863 -0.164 -12.365 1.00 0.00 H new ATOM 0 HB3 GLU A 82 14.300 1.044 -11.227 1.00 0.00 H new ATOM 0 HG2 GLU A 82 15.573 0.197 -9.489 1.00 0.00 H new ATOM 0 HG3 GLU A 82 15.280 -1.469 -9.948 1.00 0.00 H new ATOM 1140 N PHE A 83 11.281 0.568 -11.714 1.00 0.00 N ATOM 1141 CA PHE A 83 10.176 1.118 -12.576 1.00 0.00 C ATOM 1142 C PHE A 83 10.625 1.024 -14.035 1.00 0.00 C ATOM 1143 O PHE A 83 9.879 0.653 -14.918 1.00 0.00 O ATOM 1144 CB PHE A 83 9.939 2.620 -12.309 1.00 0.00 C ATOM 1145 CG PHE A 83 8.926 2.983 -11.200 1.00 0.00 C ATOM 1146 CD1 PHE A 83 7.666 2.347 -11.059 1.00 0.00 C ATOM 1147 CD2 PHE A 83 9.255 4.017 -10.290 1.00 0.00 C ATOM 1148 CE1 PHE A 83 6.788 2.743 -10.028 1.00 0.00 C ATOM 1149 CE2 PHE A 83 8.378 4.387 -9.281 1.00 0.00 C ATOM 1150 CZ PHE A 83 7.160 3.774 -9.139 1.00 0.00 C ATOM 0 H PHE A 83 11.300 0.957 -10.771 1.00 0.00 H new ATOM 0 HA PHE A 83 9.270 0.552 -12.360 1.00 0.00 H new ATOM 0 HB2 PHE A 83 10.897 3.074 -12.055 1.00 0.00 H new ATOM 0 HB3 PHE A 83 9.604 3.081 -13.238 1.00 0.00 H new ATOM 0 HD1 PHE A 83 7.379 1.560 -11.741 1.00 0.00 H new ATOM 0 HD2 PHE A 83 10.203 4.525 -10.383 1.00 0.00 H new ATOM 0 HE1 PHE A 83 5.830 2.256 -9.919 1.00 0.00 H new ATOM 0 HE2 PHE A 83 8.660 5.172 -8.595 1.00 0.00 H new ATOM 0 HZ PHE A 83 6.488 4.079 -8.350 1.00 0.00 H new ATOM 1160 N HIS A 84 11.874 1.371 -14.275 1.00 0.00 N ATOM 1161 CA HIS A 84 12.431 1.320 -15.653 1.00 0.00 C ATOM 1162 C HIS A 84 13.956 1.347 -15.594 1.00 0.00 C ATOM 1163 O HIS A 84 14.627 1.908 -16.437 1.00 0.00 O ATOM 1164 CB HIS A 84 11.924 2.492 -16.467 1.00 0.00 C ATOM 1165 CG HIS A 84 11.586 2.040 -17.861 1.00 0.00 C ATOM 1166 ND1 HIS A 84 12.230 0.974 -18.470 1.00 0.00 N ATOM 1167 CD2 HIS A 84 10.686 2.511 -18.786 1.00 0.00 C ATOM 1168 CE1 HIS A 84 11.716 0.841 -19.706 1.00 0.00 C ATOM 1169 NE2 HIS A 84 10.771 1.754 -19.951 1.00 0.00 N ATOM 0 H HIS A 84 12.530 1.689 -13.561 1.00 0.00 H new ATOM 0 HA HIS A 84 12.107 0.396 -16.132 1.00 0.00 H new ATOM 0 HB2 HIS A 84 11.043 2.922 -15.991 1.00 0.00 H new ATOM 0 HB3 HIS A 84 12.681 3.275 -16.503 1.00 0.00 H new ATOM 0 HD2 HIS A 84 10.014 3.343 -18.632 1.00 0.00 H new ATOM 0 HE1 HIS A 84 12.029 0.088 -20.414 1.00 0.00 H new ATOM 0 HE2 HIS A 84 10.229 1.871 -20.807 1.00 0.00 H new ATOM 1177 N ASP A 85 14.488 0.686 -14.617 1.00 0.00 N ATOM 1178 CA ASP A 85 15.975 0.572 -14.465 1.00 0.00 C ATOM 1179 C ASP A 85 16.670 1.907 -14.122 1.00 0.00 C ATOM 1180 O ASP A 85 17.884 1.958 -14.079 1.00 0.00 O ATOM 1181 CB ASP A 85 16.560 0.037 -15.773 1.00 0.00 C ATOM 1182 CG ASP A 85 17.837 -0.753 -15.474 1.00 0.00 C ATOM 1183 OD1 ASP A 85 18.173 -0.877 -14.308 1.00 0.00 O ATOM 1184 OD2 ASP A 85 18.455 -1.220 -16.416 1.00 0.00 O ATOM 0 H ASP A 85 13.952 0.205 -13.895 1.00 0.00 H new ATOM 0 HA ASP A 85 16.157 -0.102 -13.628 1.00 0.00 H new ATOM 0 HB2 ASP A 85 15.833 -0.602 -16.275 1.00 0.00 H new ATOM 0 HB3 ASP A 85 16.780 0.862 -16.450 1.00 0.00 H new ATOM 1189 N GLU A 86 15.968 2.986 -13.875 1.00 0.00 N ATOM 1190 CA GLU A 86 16.713 4.255 -13.544 1.00 0.00 C ATOM 1191 C GLU A 86 15.757 5.444 -13.349 1.00 0.00 C ATOM 1192 O GLU A 86 14.603 5.373 -13.698 1.00 0.00 O ATOM 1193 CB GLU A 86 17.699 4.589 -14.675 1.00 0.00 C ATOM 1194 CG GLU A 86 17.287 3.893 -15.978 1.00 0.00 C ATOM 1195 CD GLU A 86 17.541 4.831 -17.159 1.00 0.00 C ATOM 1196 OE1 GLU A 86 16.971 5.909 -17.169 1.00 0.00 O ATOM 1197 OE2 GLU A 86 18.303 4.454 -18.036 1.00 0.00 O ATOM 0 H GLU A 86 14.950 3.052 -13.885 1.00 0.00 H new ATOM 0 HA GLU A 86 17.248 4.087 -12.609 1.00 0.00 H new ATOM 0 HB2 GLU A 86 17.732 5.668 -14.828 1.00 0.00 H new ATOM 0 HB3 GLU A 86 18.704 4.276 -14.392 1.00 0.00 H new ATOM 0 HG2 GLU A 86 17.853 2.970 -16.105 1.00 0.00 H new ATOM 0 HG3 GLU A 86 16.233 3.618 -15.938 1.00 0.00 H new ATOM 1204 N PRO A 87 16.304 6.519 -12.808 1.00 0.00 N ATOM 1205 CA PRO A 87 15.561 7.806 -12.540 1.00 0.00 C ATOM 1206 C PRO A 87 15.145 8.452 -13.872 1.00 0.00 C ATOM 1207 O PRO A 87 14.872 7.752 -14.824 1.00 0.00 O ATOM 1208 CB PRO A 87 16.595 8.643 -11.780 1.00 0.00 C ATOM 1209 CG PRO A 87 17.958 8.081 -12.136 1.00 0.00 C ATOM 1210 CD PRO A 87 17.752 6.596 -12.418 1.00 0.00 C ATOM 0 HA PRO A 87 14.636 7.688 -11.975 1.00 0.00 H new ATOM 0 HB2 PRO A 87 16.524 9.694 -12.061 1.00 0.00 H new ATOM 0 HB3 PRO A 87 16.423 8.588 -10.705 1.00 0.00 H new ATOM 0 HG2 PRO A 87 18.371 8.588 -13.008 1.00 0.00 H new ATOM 0 HG3 PRO A 87 18.664 8.227 -11.318 1.00 0.00 H new ATOM 0 HD2 PRO A 87 18.404 6.244 -13.218 1.00 0.00 H new ATOM 0 HD3 PRO A 87 17.966 5.986 -11.540 1.00 0.00 H new ATOM 1218 N GLU A 88 15.098 9.767 -13.953 1.00 0.00 N ATOM 1219 CA GLU A 88 14.711 10.440 -15.242 1.00 0.00 C ATOM 1220 C GLU A 88 13.670 9.615 -15.983 1.00 0.00 C ATOM 1221 O GLU A 88 13.656 9.587 -17.197 1.00 0.00 O ATOM 1222 CB GLU A 88 15.941 10.535 -16.142 1.00 0.00 C ATOM 1223 CG GLU A 88 15.621 11.414 -17.351 1.00 0.00 C ATOM 1224 CD GLU A 88 16.192 12.815 -17.132 1.00 0.00 C ATOM 1225 OE1 GLU A 88 17.334 12.910 -16.711 1.00 0.00 O ATOM 1226 OE2 GLU A 88 15.479 13.772 -17.388 1.00 0.00 O ATOM 0 H GLU A 88 15.311 10.402 -13.183 1.00 0.00 H new ATOM 0 HA GLU A 88 14.309 11.426 -15.008 1.00 0.00 H new ATOM 0 HB2 GLU A 88 16.780 10.954 -15.586 1.00 0.00 H new ATOM 0 HB3 GLU A 88 16.242 9.540 -16.471 1.00 0.00 H new ATOM 0 HG2 GLU A 88 16.044 10.975 -18.255 1.00 0.00 H new ATOM 0 HG3 GLU A 88 14.542 11.469 -17.498 1.00 0.00 H new ATOM 1233 N LEU A 89 12.816 8.938 -15.272 1.00 0.00 N ATOM 1234 CA LEU A 89 11.798 8.085 -15.940 1.00 0.00 C ATOM 1235 C LEU A 89 11.216 7.131 -14.893 1.00 0.00 C ATOM 1236 O LEU A 89 10.038 6.836 -14.901 1.00 0.00 O ATOM 1237 CB LEU A 89 12.468 7.349 -17.125 1.00 0.00 C ATOM 1238 CG LEU A 89 12.365 5.832 -17.028 1.00 0.00 C ATOM 1239 CD1 LEU A 89 12.946 5.244 -18.310 1.00 0.00 C ATOM 1240 CD2 LEU A 89 13.190 5.334 -15.846 1.00 0.00 C ATOM 0 H LEU A 89 12.779 8.939 -14.253 1.00 0.00 H new ATOM 0 HA LEU A 89 10.975 8.671 -16.350 1.00 0.00 H new ATOM 0 HB2 LEU A 89 12.007 7.679 -18.056 1.00 0.00 H new ATOM 0 HB3 LEU A 89 13.519 7.633 -17.172 1.00 0.00 H new ATOM 0 HG LEU A 89 11.325 5.534 -16.892 1.00 0.00 H new ATOM 0 HD11 LEU A 89 12.887 4.156 -18.271 1.00 0.00 H new ATOM 0 HD12 LEU A 89 12.379 5.608 -19.167 1.00 0.00 H new ATOM 0 HD13 LEU A 89 13.988 5.547 -18.410 1.00 0.00 H new ATOM 0 HD21 LEU A 89 13.113 4.249 -15.780 1.00 0.00 H new ATOM 0 HD22 LEU A 89 14.233 5.616 -15.986 1.00 0.00 H new ATOM 0 HD23 LEU A 89 12.814 5.781 -14.926 1.00 0.00 H new ATOM 1252 N ALA A 90 12.023 6.691 -13.963 1.00 0.00 N ATOM 1253 CA ALA A 90 11.501 5.820 -12.888 1.00 0.00 C ATOM 1254 C ALA A 90 11.020 6.716 -11.780 1.00 0.00 C ATOM 1255 O ALA A 90 11.396 6.569 -10.636 1.00 0.00 O ATOM 1256 CB ALA A 90 12.562 4.865 -12.343 1.00 0.00 C ATOM 0 H ALA A 90 13.020 6.901 -13.908 1.00 0.00 H new ATOM 0 HA ALA A 90 10.699 5.203 -13.292 1.00 0.00 H new ATOM 0 HB1 ALA A 90 12.127 4.248 -11.556 1.00 0.00 H new ATOM 0 HB2 ALA A 90 12.923 4.225 -13.148 1.00 0.00 H new ATOM 0 HB3 ALA A 90 13.394 5.440 -11.935 1.00 0.00 H new ATOM 1262 N LYS A 91 10.183 7.646 -12.129 1.00 0.00 N ATOM 1263 CA LYS A 91 9.635 8.555 -11.125 1.00 0.00 C ATOM 1264 C LYS A 91 8.944 7.696 -10.087 1.00 0.00 C ATOM 1265 O LYS A 91 9.362 6.606 -9.804 1.00 0.00 O ATOM 1266 CB LYS A 91 8.627 9.505 -11.776 1.00 0.00 C ATOM 1267 CG LYS A 91 9.259 10.150 -13.011 1.00 0.00 C ATOM 1268 CD LYS A 91 8.387 9.870 -14.236 1.00 0.00 C ATOM 1269 CE LYS A 91 8.116 11.180 -14.979 1.00 0.00 C ATOM 1270 NZ LYS A 91 8.360 10.984 -16.437 1.00 0.00 N ATOM 0 H LYS A 91 9.858 7.807 -13.082 1.00 0.00 H new ATOM 0 HA LYS A 91 10.421 9.159 -10.671 1.00 0.00 H new ATOM 0 HB2 LYS A 91 7.726 8.959 -12.058 1.00 0.00 H new ATOM 0 HB3 LYS A 91 8.324 10.274 -11.065 1.00 0.00 H new ATOM 0 HG2 LYS A 91 9.360 11.225 -12.861 1.00 0.00 H new ATOM 0 HG3 LYS A 91 10.262 9.754 -13.168 1.00 0.00 H new ATOM 0 HD2 LYS A 91 8.886 9.161 -14.897 1.00 0.00 H new ATOM 0 HD3 LYS A 91 7.447 9.412 -13.929 1.00 0.00 H new ATOM 0 HE2 LYS A 91 7.088 11.500 -14.811 1.00 0.00 H new ATOM 0 HE3 LYS A 91 8.762 11.969 -14.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 8.176 11.874 -16.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 9.348 10.698 -16.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 7.726 10.243 -16.799 1.00 0.00 H new ATOM 1284 N TYR A 92 7.933 8.197 -9.482 1.00 0.00 N ATOM 1285 CA TYR A 92 7.240 7.461 -8.419 1.00 0.00 C ATOM 1286 C TYR A 92 5.777 7.891 -8.463 1.00 0.00 C ATOM 1287 O TYR A 92 5.399 8.745 -9.238 1.00 0.00 O ATOM 1288 CB TYR A 92 7.943 7.881 -7.151 1.00 0.00 C ATOM 1289 CG TYR A 92 9.440 7.727 -7.426 1.00 0.00 C ATOM 1290 CD1 TYR A 92 10.047 6.465 -7.333 1.00 0.00 C ATOM 1291 CD2 TYR A 92 10.193 8.823 -7.877 1.00 0.00 C ATOM 1292 CE1 TYR A 92 11.391 6.301 -7.683 1.00 0.00 C ATOM 1293 CE2 TYR A 92 11.542 8.657 -8.214 1.00 0.00 C ATOM 1294 CZ TYR A 92 12.140 7.396 -8.121 1.00 0.00 C ATOM 1295 OH TYR A 92 13.466 7.233 -8.465 1.00 0.00 O ATOM 0 H TYR A 92 7.543 9.117 -9.685 1.00 0.00 H new ATOM 0 HA TYR A 92 7.261 6.375 -8.508 1.00 0.00 H new ATOM 0 HB2 TYR A 92 7.698 8.911 -6.892 1.00 0.00 H new ATOM 0 HB3 TYR A 92 7.635 7.259 -6.310 1.00 0.00 H new ATOM 0 HD1 TYR A 92 9.474 5.617 -6.990 1.00 0.00 H new ATOM 0 HD2 TYR A 92 9.731 9.795 -7.964 1.00 0.00 H new ATOM 0 HE1 TYR A 92 11.851 5.326 -7.615 1.00 0.00 H new ATOM 0 HE2 TYR A 92 12.122 9.505 -8.547 1.00 0.00 H new ATOM 0 HH TYR A 92 13.838 8.094 -8.749 1.00 0.00 H new ATOM 1305 N THR A 93 4.949 7.297 -7.679 1.00 0.00 N ATOM 1306 CA THR A 93 3.496 7.667 -7.731 1.00 0.00 C ATOM 1307 C THR A 93 2.880 7.770 -6.330 1.00 0.00 C ATOM 1308 O THR A 93 3.486 7.417 -5.340 1.00 0.00 O ATOM 1309 CB THR A 93 2.744 6.647 -8.605 1.00 0.00 C ATOM 1310 OG1 THR A 93 1.451 7.148 -8.904 1.00 0.00 O ATOM 1311 CG2 THR A 93 2.612 5.286 -7.913 1.00 0.00 C ATOM 0 H THR A 93 5.195 6.574 -7.003 1.00 0.00 H new ATOM 0 HA THR A 93 3.404 8.657 -8.178 1.00 0.00 H new ATOM 0 HB THR A 93 3.320 6.503 -9.519 1.00 0.00 H new ATOM 0 HG1 THR A 93 0.971 6.501 -9.462 1.00 0.00 H new ATOM 0 HG21 THR A 93 2.075 4.597 -8.565 1.00 0.00 H new ATOM 0 HG22 THR A 93 3.604 4.887 -7.702 1.00 0.00 H new ATOM 0 HG23 THR A 93 2.063 5.404 -6.979 1.00 0.00 H new ATOM 1319 N THR A 94 1.686 8.309 -6.250 1.00 0.00 N ATOM 1320 CA THR A 94 1.016 8.501 -4.923 1.00 0.00 C ATOM 1321 C THR A 94 -0.328 7.761 -4.867 1.00 0.00 C ATOM 1322 O THR A 94 -1.198 7.973 -5.688 1.00 0.00 O ATOM 1323 CB THR A 94 0.777 10.003 -4.714 1.00 0.00 C ATOM 1324 OG1 THR A 94 1.941 10.720 -5.101 1.00 0.00 O ATOM 1325 CG2 THR A 94 0.474 10.287 -3.242 1.00 0.00 C ATOM 0 H THR A 94 1.143 8.626 -7.053 1.00 0.00 H new ATOM 0 HA THR A 94 1.658 8.096 -4.140 1.00 0.00 H new ATOM 0 HB THR A 94 -0.073 10.318 -5.320 1.00 0.00 H new ATOM 0 HG1 THR A 94 2.685 10.479 -4.511 1.00 0.00 H new ATOM 0 HG21 THR A 94 0.306 11.355 -3.105 1.00 0.00 H new ATOM 0 HG22 THR A 94 -0.418 9.738 -2.942 1.00 0.00 H new ATOM 0 HG23 THR A 94 1.318 9.971 -2.629 1.00 0.00 H new ATOM 1333 N CYS A 95 -0.510 6.897 -3.892 1.00 0.00 N ATOM 1334 CA CYS A 95 -1.799 6.153 -3.779 1.00 0.00 C ATOM 1335 C CYS A 95 -2.275 6.144 -2.323 1.00 0.00 C ATOM 1336 O CYS A 95 -1.504 6.313 -1.399 1.00 0.00 O ATOM 1337 CB CYS A 95 -1.589 4.716 -4.249 1.00 0.00 C ATOM 1338 SG CYS A 95 -3.072 3.739 -3.896 1.00 0.00 S ATOM 0 H CYS A 95 0.180 6.679 -3.173 1.00 0.00 H new ATOM 0 HA CYS A 95 -2.552 6.642 -4.397 1.00 0.00 H new ATOM 0 HB2 CYS A 95 -1.376 4.700 -5.318 1.00 0.00 H new ATOM 0 HB3 CYS A 95 -0.726 4.280 -3.746 1.00 0.00 H new ATOM 1343 N THR A 96 -3.548 5.933 -2.123 1.00 0.00 N ATOM 1344 CA THR A 96 -4.112 5.891 -0.741 1.00 0.00 C ATOM 1345 C THR A 96 -4.755 4.522 -0.517 1.00 0.00 C ATOM 1346 O THR A 96 -5.520 4.051 -1.331 1.00 0.00 O ATOM 1347 CB THR A 96 -5.183 6.976 -0.591 1.00 0.00 C ATOM 1348 OG1 THR A 96 -4.669 8.217 -1.053 1.00 0.00 O ATOM 1349 CG2 THR A 96 -5.586 7.103 0.880 1.00 0.00 C ATOM 0 H THR A 96 -4.230 5.786 -2.867 1.00 0.00 H new ATOM 0 HA THR A 96 -3.319 6.061 -0.013 1.00 0.00 H new ATOM 0 HB THR A 96 -6.058 6.704 -1.181 1.00 0.00 H new ATOM 0 HG1 THR A 96 -5.355 8.911 -0.958 1.00 0.00 H new ATOM 0 HG21 THR A 96 -6.348 7.876 0.983 1.00 0.00 H new ATOM 0 HG22 THR A 96 -5.984 6.151 1.232 1.00 0.00 H new ATOM 0 HG23 THR A 96 -4.713 7.373 1.474 1.00 0.00 H new ATOM 1357 N PHE A 97 -4.457 3.884 0.577 1.00 0.00 N ATOM 1358 CA PHE A 97 -5.060 2.546 0.851 1.00 0.00 C ATOM 1359 C PHE A 97 -6.105 2.678 1.957 1.00 0.00 C ATOM 1360 O PHE A 97 -5.859 3.276 2.978 1.00 0.00 O ATOM 1361 CB PHE A 97 -3.984 1.562 1.325 1.00 0.00 C ATOM 1362 CG PHE A 97 -2.952 1.318 0.227 1.00 0.00 C ATOM 1363 CD1 PHE A 97 -3.357 1.156 -1.115 1.00 0.00 C ATOM 1364 CD2 PHE A 97 -1.591 1.186 0.550 1.00 0.00 C ATOM 1365 CE1 PHE A 97 -2.415 0.874 -2.105 1.00 0.00 C ATOM 1366 CE2 PHE A 97 -0.660 0.888 -0.440 1.00 0.00 C ATOM 1367 CZ PHE A 97 -1.059 0.732 -1.765 1.00 0.00 C ATOM 0 H PHE A 97 -3.821 4.229 1.296 1.00 0.00 H new ATOM 0 HA PHE A 97 -5.516 2.177 -0.068 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -3.490 1.956 2.213 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -4.448 0.618 1.610 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -4.400 1.251 -1.377 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -1.266 1.316 1.572 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.728 0.765 -3.133 1.00 0.00 H new ATOM 0 HE2 PHE A 97 0.382 0.777 -0.178 1.00 0.00 H new ATOM 0 HZ PHE A 97 -0.330 0.503 -2.528 1.00 0.00 H new ATOM 1377 N VAL A 98 -7.259 2.103 1.786 1.00 0.00 N ATOM 1378 CA VAL A 98 -8.277 2.194 2.869 1.00 0.00 C ATOM 1379 C VAL A 98 -8.635 0.758 3.264 1.00 0.00 C ATOM 1380 O VAL A 98 -9.187 0.015 2.476 1.00 0.00 O ATOM 1381 CB VAL A 98 -9.502 2.960 2.354 1.00 0.00 C ATOM 1382 CG1 VAL A 98 -10.750 2.562 3.149 1.00 0.00 C ATOM 1383 CG2 VAL A 98 -9.258 4.462 2.515 1.00 0.00 C ATOM 0 H VAL A 98 -7.541 1.581 0.957 1.00 0.00 H new ATOM 0 HA VAL A 98 -7.900 2.733 3.738 1.00 0.00 H new ATOM 0 HB VAL A 98 -9.659 2.716 1.303 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -11.612 3.113 2.773 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -10.927 1.492 3.038 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -10.600 2.797 4.203 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -10.125 5.013 2.151 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -9.097 4.694 3.568 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -8.377 4.751 1.941 1.00 0.00 H new ATOM 1393 N VAL A 99 -8.279 0.336 4.450 1.00 0.00 N ATOM 1394 CA VAL A 99 -8.560 -1.079 4.831 1.00 0.00 C ATOM 1395 C VAL A 99 -9.310 -1.178 6.162 1.00 0.00 C ATOM 1396 O VAL A 99 -8.821 -0.792 7.200 1.00 0.00 O ATOM 1397 CB VAL A 99 -7.221 -1.834 4.912 1.00 0.00 C ATOM 1398 CG1 VAL A 99 -7.216 -2.816 6.089 1.00 0.00 C ATOM 1399 CG2 VAL A 99 -7.020 -2.590 3.605 1.00 0.00 C ATOM 0 H VAL A 99 -7.813 0.900 5.161 1.00 0.00 H new ATOM 0 HA VAL A 99 -9.205 -1.525 4.074 1.00 0.00 H new ATOM 0 HB VAL A 99 -6.411 -1.121 5.069 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -6.259 -3.337 6.124 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -7.366 -2.269 7.020 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -8.019 -3.541 5.961 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -6.076 -3.133 3.640 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.839 -3.295 3.463 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.001 -1.884 2.775 1.00 0.00 H new ATOM 1409 N TYR A 100 -10.474 -1.756 6.147 1.00 0.00 N ATOM 1410 CA TYR A 100 -11.222 -1.917 7.423 1.00 0.00 C ATOM 1411 C TYR A 100 -10.588 -3.064 8.215 1.00 0.00 C ATOM 1412 O TYR A 100 -10.236 -4.086 7.657 1.00 0.00 O ATOM 1413 CB TYR A 100 -12.691 -2.215 7.137 1.00 0.00 C ATOM 1414 CG TYR A 100 -13.542 -1.518 8.162 1.00 0.00 C ATOM 1415 CD1 TYR A 100 -13.514 -0.124 8.242 1.00 0.00 C ATOM 1416 CD2 TYR A 100 -14.357 -2.255 9.026 1.00 0.00 C ATOM 1417 CE1 TYR A 100 -14.301 0.540 9.186 1.00 0.00 C ATOM 1418 CE2 TYR A 100 -15.143 -1.593 9.972 1.00 0.00 C ATOM 1419 CZ TYR A 100 -15.116 -0.195 10.053 1.00 0.00 C ATOM 1420 OH TYR A 100 -15.896 0.459 10.984 1.00 0.00 O ATOM 0 H TYR A 100 -10.938 -2.122 5.316 1.00 0.00 H new ATOM 0 HA TYR A 100 -11.171 -0.996 8.004 1.00 0.00 H new ATOM 0 HB2 TYR A 100 -12.955 -1.876 6.135 1.00 0.00 H new ATOM 0 HB3 TYR A 100 -12.870 -3.290 7.168 1.00 0.00 H new ATOM 0 HD1 TYR A 100 -12.883 0.442 7.573 1.00 0.00 H new ATOM 0 HD2 TYR A 100 -14.379 -3.333 8.962 1.00 0.00 H new ATOM 0 HE1 TYR A 100 -14.280 1.618 9.246 1.00 0.00 H new ATOM 0 HE2 TYR A 100 -15.772 -2.160 10.642 1.00 0.00 H new ATOM 0 HH TYR A 100 -16.651 -0.112 11.237 1.00 0.00 H new ATOM 1430 N SER A 101 -10.406 -2.907 9.501 1.00 0.00 N ATOM 1431 CA SER A 101 -9.764 -3.984 10.292 1.00 0.00 C ATOM 1432 C SER A 101 -10.616 -4.275 11.547 1.00 0.00 C ATOM 1433 O SER A 101 -10.591 -3.535 12.514 1.00 0.00 O ATOM 1434 CB SER A 101 -8.351 -3.497 10.669 1.00 0.00 C ATOM 1435 OG SER A 101 -8.317 -2.080 10.639 1.00 0.00 O ATOM 0 H SER A 101 -10.676 -2.079 10.032 1.00 0.00 H new ATOM 0 HA SER A 101 -9.690 -4.911 9.724 1.00 0.00 H new ATOM 0 HB2 SER A 101 -8.083 -3.857 11.662 1.00 0.00 H new ATOM 0 HB3 SER A 101 -7.617 -3.904 9.974 1.00 0.00 H new ATOM 0 HG SER A 101 -7.492 -1.782 10.203 1.00 0.00 H new ATOM 1441 N ILE A 102 -11.382 -5.348 11.519 1.00 0.00 N ATOM 1442 CA ILE A 102 -12.249 -5.717 12.687 1.00 0.00 C ATOM 1443 C ILE A 102 -11.419 -6.577 13.664 1.00 0.00 C ATOM 1444 O ILE A 102 -11.112 -7.710 13.360 1.00 0.00 O ATOM 1445 CB ILE A 102 -13.438 -6.537 12.170 1.00 0.00 C ATOM 1446 CG1 ILE A 102 -13.834 -6.030 10.776 1.00 0.00 C ATOM 1447 CG2 ILE A 102 -14.623 -6.386 13.128 1.00 0.00 C ATOM 1448 CD1 ILE A 102 -15.247 -6.501 10.424 1.00 0.00 C ATOM 0 H ILE A 102 -11.442 -5.988 10.727 1.00 0.00 H new ATOM 0 HA ILE A 102 -12.609 -4.823 13.197 1.00 0.00 H new ATOM 0 HB ILE A 102 -13.158 -7.589 12.110 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -13.789 -4.941 10.751 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -13.125 -6.396 10.033 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -15.466 -6.969 12.758 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -14.339 -6.745 14.117 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -14.908 -5.336 13.191 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -15.516 -6.135 9.433 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -15.279 -7.591 10.430 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -15.953 -6.113 11.158 1.00 0.00 H new ATOM 1460 N PRO A 103 -11.056 -6.017 14.794 1.00 0.00 N ATOM 1461 CA PRO A 103 -10.222 -6.722 15.829 1.00 0.00 C ATOM 1462 C PRO A 103 -10.971 -7.876 16.509 1.00 0.00 C ATOM 1463 O PRO A 103 -10.466 -8.978 16.591 1.00 0.00 O ATOM 1464 CB PRO A 103 -9.890 -5.617 16.824 1.00 0.00 C ATOM 1465 CG PRO A 103 -10.958 -4.550 16.658 1.00 0.00 C ATOM 1466 CD PRO A 103 -11.421 -4.623 15.203 1.00 0.00 C ATOM 0 HA PRO A 103 -9.341 -7.194 15.393 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -9.883 -6.003 17.843 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -8.899 -5.207 16.631 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -11.791 -4.725 17.339 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -10.559 -3.562 16.889 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -12.493 -4.445 15.113 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -10.921 -3.878 14.584 1.00 0.00 H new ATOM 1474 N TRP A 104 -12.149 -7.648 17.023 1.00 0.00 N ATOM 1475 CA TRP A 104 -12.872 -8.766 17.709 1.00 0.00 C ATOM 1476 C TRP A 104 -13.062 -9.963 16.761 1.00 0.00 C ATOM 1477 O TRP A 104 -13.490 -11.020 17.180 1.00 0.00 O ATOM 1478 CB TRP A 104 -14.243 -8.283 18.213 1.00 0.00 C ATOM 1479 CG TRP A 104 -15.173 -8.021 17.065 1.00 0.00 C ATOM 1480 CD1 TRP A 104 -15.860 -8.967 16.375 1.00 0.00 C ATOM 1481 CD2 TRP A 104 -15.549 -6.741 16.478 1.00 0.00 C ATOM 1482 NE1 TRP A 104 -16.616 -8.350 15.398 1.00 0.00 N ATOM 1483 CE2 TRP A 104 -16.457 -6.979 15.419 1.00 0.00 C ATOM 1484 CE3 TRP A 104 -15.189 -5.410 16.755 1.00 0.00 C ATOM 1485 CZ2 TRP A 104 -16.988 -5.936 14.662 1.00 0.00 C ATOM 1486 CZ3 TRP A 104 -15.724 -4.358 15.996 1.00 0.00 C ATOM 1487 CH2 TRP A 104 -16.621 -4.621 14.951 1.00 0.00 C ATOM 0 H TRP A 104 -12.638 -6.753 17.001 1.00 0.00 H new ATOM 0 HA TRP A 104 -12.268 -9.087 18.557 1.00 0.00 H new ATOM 0 HB2 TRP A 104 -14.677 -9.033 18.874 1.00 0.00 H new ATOM 0 HB3 TRP A 104 -14.119 -7.374 18.801 1.00 0.00 H new ATOM 0 HD1 TRP A 104 -15.821 -10.030 16.560 1.00 0.00 H new ATOM 0 HE1 TRP A 104 -17.218 -8.846 14.741 1.00 0.00 H new ATOM 0 HE3 TRP A 104 -14.497 -5.196 17.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 104 -17.678 -6.144 13.858 1.00 0.00 H new ATOM 0 HZ3 TRP A 104 -15.443 -3.339 16.218 1.00 0.00 H new ATOM 0 HH2 TRP A 104 -17.028 -3.806 14.370 1.00 0.00 H new ATOM 1498 N LEU A 105 -12.790 -9.809 15.489 1.00 0.00 N ATOM 1499 CA LEU A 105 -13.000 -10.914 14.543 1.00 0.00 C ATOM 1500 C LEU A 105 -11.803 -11.033 13.595 1.00 0.00 C ATOM 1501 O LEU A 105 -11.874 -11.715 12.593 1.00 0.00 O ATOM 1502 CB LEU A 105 -14.213 -10.514 13.757 1.00 0.00 C ATOM 1503 CG LEU A 105 -15.323 -11.565 13.789 1.00 0.00 C ATOM 1504 CD1 LEU A 105 -15.100 -12.585 12.670 1.00 0.00 C ATOM 1505 CD2 LEU A 105 -15.360 -12.284 15.142 1.00 0.00 C ATOM 0 H LEU A 105 -12.428 -8.950 15.075 1.00 0.00 H new ATOM 0 HA LEU A 105 -13.118 -11.871 15.051 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -14.600 -9.574 14.151 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -13.924 -10.331 12.722 1.00 0.00 H new ATOM 0 HG LEU A 105 -16.278 -11.060 13.642 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -15.893 -13.333 12.696 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -15.112 -12.076 11.706 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -14.136 -13.074 12.810 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -16.158 -13.026 15.138 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -14.405 -12.779 15.317 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -15.543 -11.559 15.935 1.00 0.00 H new ATOM 1517 N ASN A 106 -10.711 -10.383 13.910 1.00 0.00 N ATOM 1518 CA ASN A 106 -9.503 -10.449 13.045 1.00 0.00 C ATOM 1519 C ASN A 106 -9.910 -10.565 11.577 1.00 0.00 C ATOM 1520 O ASN A 106 -9.505 -11.468 10.872 1.00 0.00 O ATOM 1521 CB ASN A 106 -8.679 -11.649 13.470 1.00 0.00 C ATOM 1522 CG ASN A 106 -7.239 -11.486 12.983 1.00 0.00 C ATOM 1523 OD1 ASN A 106 -6.835 -10.410 12.589 1.00 0.00 O ATOM 1524 ND2 ASN A 106 -6.439 -12.519 12.995 1.00 0.00 N ATOM 0 H ASN A 106 -10.608 -9.802 14.742 1.00 0.00 H new ATOM 0 HA ASN A 106 -8.912 -9.540 13.154 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -8.697 -11.748 14.555 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -9.110 -12.562 13.060 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -5.476 -12.422 12.674 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -6.778 -13.423 13.326 1.00 0.00 H new ATOM 1531 N GLN A 107 -10.715 -9.650 11.122 1.00 0.00 N ATOM 1532 CA GLN A 107 -11.171 -9.683 9.709 1.00 0.00 C ATOM 1533 C GLN A 107 -10.773 -8.381 9.011 1.00 0.00 C ATOM 1534 O GLN A 107 -11.418 -7.360 9.156 1.00 0.00 O ATOM 1535 CB GLN A 107 -12.693 -9.838 9.666 1.00 0.00 C ATOM 1536 CG GLN A 107 -13.087 -10.679 8.451 1.00 0.00 C ATOM 1537 CD GLN A 107 -14.430 -10.193 7.907 1.00 0.00 C ATOM 1538 OE1 GLN A 107 -14.498 -9.182 7.236 1.00 0.00 O ATOM 1539 NE2 GLN A 107 -15.513 -10.873 8.173 1.00 0.00 N ATOM 0 H GLN A 107 -11.080 -8.874 11.674 1.00 0.00 H new ATOM 0 HA GLN A 107 -10.704 -10.526 9.199 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -13.047 -10.314 10.581 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -13.167 -8.858 9.612 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -12.321 -10.603 7.679 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -13.155 -11.730 8.730 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -15.457 -11.722 8.736 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -16.415 -10.555 7.818 1.00 0.00 H new ATOM 1548 N ILE A 108 -9.714 -8.415 8.254 1.00 0.00 N ATOM 1549 CA ILE A 108 -9.263 -7.196 7.530 1.00 0.00 C ATOM 1550 C ILE A 108 -9.903 -7.208 6.136 1.00 0.00 C ATOM 1551 O ILE A 108 -10.251 -8.252 5.619 1.00 0.00 O ATOM 1552 CB ILE A 108 -7.723 -7.226 7.452 1.00 0.00 C ATOM 1553 CG1 ILE A 108 -7.135 -6.127 8.346 1.00 0.00 C ATOM 1554 CG2 ILE A 108 -7.231 -7.046 6.006 1.00 0.00 C ATOM 1555 CD1 ILE A 108 -5.704 -5.797 7.916 1.00 0.00 C ATOM 0 H ILE A 108 -9.137 -9.242 8.105 1.00 0.00 H new ATOM 0 HA ILE A 108 -9.564 -6.281 8.041 1.00 0.00 H new ATOM 0 HB ILE A 108 -7.385 -8.201 7.803 1.00 0.00 H new ATOM 0 HG12 ILE A 108 -7.754 -5.232 8.288 1.00 0.00 H new ATOM 0 HG13 ILE A 108 -7.143 -6.453 9.386 1.00 0.00 H new ATOM 0 HG21 ILE A 108 -6.141 -7.072 5.986 1.00 0.00 H new ATOM 0 HG22 ILE A 108 -7.624 -7.851 5.385 1.00 0.00 H new ATOM 0 HG23 ILE A 108 -7.578 -6.087 5.620 1.00 0.00 H new ATOM 0 HD11 ILE A 108 -5.302 -5.015 8.560 1.00 0.00 H new ATOM 0 HD12 ILE A 108 -5.084 -6.690 7.998 1.00 0.00 H new ATOM 0 HD13 ILE A 108 -5.705 -5.450 6.883 1.00 0.00 H new ATOM 1567 N LYS A 109 -10.072 -6.070 5.520 1.00 0.00 N ATOM 1568 CA LYS A 109 -10.701 -6.061 4.168 1.00 0.00 C ATOM 1569 C LYS A 109 -10.305 -4.798 3.401 1.00 0.00 C ATOM 1570 O LYS A 109 -10.407 -3.693 3.901 1.00 0.00 O ATOM 1571 CB LYS A 109 -12.222 -6.108 4.319 1.00 0.00 C ATOM 1572 CG LYS A 109 -12.867 -6.278 2.942 1.00 0.00 C ATOM 1573 CD LYS A 109 -14.069 -7.219 3.054 1.00 0.00 C ATOM 1574 CE LYS A 109 -15.232 -6.661 2.235 1.00 0.00 C ATOM 1575 NZ LYS A 109 -15.965 -7.784 1.583 1.00 0.00 N ATOM 0 H LYS A 109 -9.806 -5.157 5.888 1.00 0.00 H new ATOM 0 HA LYS A 109 -10.354 -6.932 3.612 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -12.508 -6.934 4.971 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -12.580 -5.192 4.789 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -13.185 -5.310 2.555 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -12.141 -6.681 2.236 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -13.801 -8.213 2.695 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -14.364 -7.326 4.098 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -15.907 -6.097 2.879 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -14.860 -5.969 1.480 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -16.757 -7.405 1.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -15.318 -8.304 0.956 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -16.332 -8.428 2.312 1.00 0.00 H new ATOM 1589 N LEU A 110 -9.872 -4.959 2.177 1.00 0.00 N ATOM 1590 CA LEU A 110 -9.486 -3.780 1.353 1.00 0.00 C ATOM 1591 C LEU A 110 -10.714 -2.905 1.125 1.00 0.00 C ATOM 1592 O LEU A 110 -11.833 -3.338 1.320 1.00 0.00 O ATOM 1593 CB LEU A 110 -8.939 -4.250 0.018 1.00 0.00 C ATOM 1594 CG LEU A 110 -8.558 -3.033 -0.814 1.00 0.00 C ATOM 1595 CD1 LEU A 110 -7.568 -2.163 -0.039 1.00 0.00 C ATOM 1596 CD2 LEU A 110 -7.899 -3.507 -2.096 1.00 0.00 C ATOM 0 H LEU A 110 -9.770 -5.862 1.713 1.00 0.00 H new ATOM 0 HA LEU A 110 -8.719 -3.205 1.872 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -8.070 -4.890 0.171 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -9.685 -4.847 -0.506 1.00 0.00 H new ATOM 0 HG LEU A 110 -9.451 -2.450 -1.038 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -7.299 -1.294 -0.640 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -8.026 -1.832 0.893 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -6.671 -2.742 0.183 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.621 -2.645 -2.702 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -7.006 -4.084 -1.854 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -8.596 -4.133 -2.653 1.00 0.00 H new ATOM 1608 N LEU A 111 -10.530 -1.678 0.721 1.00 0.00 N ATOM 1609 CA LEU A 111 -11.716 -0.808 0.501 1.00 0.00 C ATOM 1610 C LEU A 111 -11.461 0.154 -0.651 1.00 0.00 C ATOM 1611 O LEU A 111 -11.874 -0.073 -1.770 1.00 0.00 O ATOM 1612 CB LEU A 111 -12.016 -0.015 1.776 1.00 0.00 C ATOM 1613 CG LEU A 111 -13.389 -0.418 2.316 1.00 0.00 C ATOM 1614 CD1 LEU A 111 -13.230 -1.022 3.712 1.00 0.00 C ATOM 1615 CD2 LEU A 111 -14.289 0.817 2.395 1.00 0.00 C ATOM 0 H LEU A 111 -9.624 -1.247 0.537 1.00 0.00 H new ATOM 0 HA LEU A 111 -12.571 -1.436 0.252 1.00 0.00 H new ATOM 0 HB2 LEU A 111 -11.248 -0.207 2.525 1.00 0.00 H new ATOM 0 HB3 LEU A 111 -11.996 1.054 1.565 1.00 0.00 H new ATOM 0 HG LEU A 111 -13.839 -1.154 1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 111 -14.208 -1.309 4.098 1.00 0.00 H new ATOM 0 HD12 LEU A 111 -12.589 -1.902 3.657 1.00 0.00 H new ATOM 0 HD13 LEU A 111 -12.780 -0.286 4.378 1.00 0.00 H new ATOM 0 HD21 LEU A 111 -15.268 0.530 2.780 1.00 0.00 H new ATOM 0 HD22 LEU A 111 -13.839 1.553 3.061 1.00 0.00 H new ATOM 0 HD23 LEU A 111 -14.403 1.249 1.401 1.00 0.00 H new ATOM 1627 N GLU A 112 -10.807 1.241 -0.380 1.00 0.00 N ATOM 1628 CA GLU A 112 -10.554 2.236 -1.460 1.00 0.00 C ATOM 1629 C GLU A 112 -9.053 2.473 -1.665 1.00 0.00 C ATOM 1630 O GLU A 112 -8.487 3.410 -1.140 1.00 0.00 O ATOM 1631 CB GLU A 112 -11.224 3.560 -1.087 1.00 0.00 C ATOM 1632 CG GLU A 112 -12.621 3.284 -0.530 1.00 0.00 C ATOM 1633 CD GLU A 112 -13.593 4.355 -1.031 1.00 0.00 C ATOM 1634 OE1 GLU A 112 -13.146 5.251 -1.727 1.00 0.00 O ATOM 1635 OE2 GLU A 112 -14.766 4.258 -0.711 1.00 0.00 O ATOM 0 H GLU A 112 -10.436 1.487 0.538 1.00 0.00 H new ATOM 0 HA GLU A 112 -10.967 1.844 -2.389 1.00 0.00 H new ATOM 0 HB2 GLU A 112 -10.623 4.088 -0.347 1.00 0.00 H new ATOM 0 HB3 GLU A 112 -11.291 4.206 -1.963 1.00 0.00 H new ATOM 0 HG2 GLU A 112 -12.960 2.296 -0.842 1.00 0.00 H new ATOM 0 HG3 GLU A 112 -12.596 3.282 0.560 1.00 0.00 H new ATOM 1642 N SER A 113 -8.413 1.658 -2.463 1.00 0.00 N ATOM 1643 CA SER A 113 -6.963 1.872 -2.742 1.00 0.00 C ATOM 1644 C SER A 113 -6.866 2.834 -3.931 1.00 0.00 C ATOM 1645 O SER A 113 -6.780 2.422 -5.070 1.00 0.00 O ATOM 1646 CB SER A 113 -6.296 0.541 -3.100 1.00 0.00 C ATOM 1647 OG SER A 113 -7.295 -0.442 -3.328 1.00 0.00 O ATOM 0 H SER A 113 -8.832 0.855 -2.932 1.00 0.00 H new ATOM 0 HA SER A 113 -6.460 2.282 -1.866 1.00 0.00 H new ATOM 0 HB2 SER A 113 -5.677 0.660 -3.990 1.00 0.00 H new ATOM 0 HB3 SER A 113 -5.636 0.224 -2.293 1.00 0.00 H new ATOM 0 HG SER A 113 -7.037 -0.999 -4.092 1.00 0.00 H new ATOM 1653 N LYS A 114 -6.921 4.111 -3.673 1.00 0.00 N ATOM 1654 CA LYS A 114 -6.880 5.108 -4.787 1.00 0.00 C ATOM 1655 C LYS A 114 -5.443 5.343 -5.258 1.00 0.00 C ATOM 1656 O LYS A 114 -4.769 6.239 -4.796 1.00 0.00 O ATOM 1657 CB LYS A 114 -7.473 6.430 -4.301 1.00 0.00 C ATOM 1658 CG LYS A 114 -8.998 6.377 -4.412 1.00 0.00 C ATOM 1659 CD LYS A 114 -9.461 7.303 -5.539 1.00 0.00 C ATOM 1660 CE LYS A 114 -10.626 8.163 -5.046 1.00 0.00 C ATOM 1661 NZ LYS A 114 -11.903 7.638 -5.604 1.00 0.00 N ATOM 0 H LYS A 114 -6.993 4.511 -2.738 1.00 0.00 H new ATOM 0 HA LYS A 114 -7.460 4.718 -5.623 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -7.179 6.614 -3.268 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -7.083 7.256 -4.896 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -9.323 5.356 -4.610 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -9.453 6.680 -3.469 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -8.637 7.939 -5.863 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -9.769 6.715 -6.404 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -10.662 8.155 -3.957 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -10.482 9.199 -5.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -12.695 8.223 -5.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -11.866 7.668 -6.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -12.041 6.656 -5.291 1.00 0.00 H new ATOM 1675 N CYS A 115 -4.978 4.563 -6.194 1.00 0.00 N ATOM 1676 CA CYS A 115 -3.595 4.762 -6.702 1.00 0.00 C ATOM 1677 C CYS A 115 -3.644 5.502 -8.040 1.00 0.00 C ATOM 1678 O CYS A 115 -3.622 4.900 -9.094 1.00 0.00 O ATOM 1679 CB CYS A 115 -2.923 3.405 -6.896 1.00 0.00 C ATOM 1680 SG CYS A 115 -3.156 2.402 -5.408 1.00 0.00 S ATOM 0 H CYS A 115 -5.496 3.798 -6.627 1.00 0.00 H new ATOM 0 HA CYS A 115 -3.026 5.350 -5.982 1.00 0.00 H new ATOM 0 HB2 CYS A 115 -3.348 2.896 -7.761 1.00 0.00 H new ATOM 0 HB3 CYS A 115 -1.860 3.538 -7.095 1.00 0.00 H new ATOM 1685 N GLN A 116 -3.711 6.806 -8.005 1.00 0.00 N ATOM 1686 CA GLN A 116 -3.762 7.584 -9.275 1.00 0.00 C ATOM 1687 C GLN A 116 -3.542 9.067 -8.975 1.00 0.00 C ATOM 1688 CB GLN A 116 -5.129 7.394 -9.934 1.00 0.00 C ATOM 1689 CG GLN A 116 -5.168 8.158 -11.260 1.00 0.00 C ATOM 1690 CD GLN A 116 -5.504 9.627 -10.992 1.00 0.00 C ATOM 1691 OE1 GLN A 116 -6.298 9.932 -10.124 1.00 0.00 O ATOM 1692 NE2 GLN A 116 -4.928 10.556 -11.704 1.00 0.00 N ATOM 0 H GLN A 116 -3.733 7.365 -7.152 1.00 0.00 H new ATOM 0 HA GLN A 116 -2.981 7.231 -9.949 1.00 0.00 H new ATOM 0 HB2 GLN A 116 -5.317 6.334 -10.107 1.00 0.00 H new ATOM 0 HB3 GLN A 116 -5.917 7.753 -9.272 1.00 0.00 H new ATOM 0 HG2 GLN A 116 -4.205 8.080 -11.765 1.00 0.00 H new ATOM 0 HG3 GLN A 116 -5.913 7.719 -11.924 1.00 0.00 H new ATOM 0 HE21 GLN A 116 -4.262 10.300 -12.433 1.00 0.00 H new ATOM 0 HE22 GLN A 116 -5.144 11.538 -11.532 1.00 0.00 H new TER 1701 GLN A 116